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Theoretical, Computational & Data Science Studies on Interface Ionics for Energy Storage

Planned Research

Project AreaScience on Interfacial Ion Dynamics for Solid State Ionics Devices
Project/Area Number 19H05815
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionNational Institute for Materials Science

Principal Investigator

Tateyama Yoshitaka  国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究センター, センター長 (70354149)

Co-Investigator(Kenkyū-buntansha) 中山 将伸  名古屋工業大学, 工学(系)研究科(研究院), 教授 (10401530)
武藤 俊介  名古屋大学, 未来材料・システム研究所, 教授 (20209985)
井上 元  九州大学, 工学研究院, 教授 (40336003)
DAM HieuChi  北陸先端科学技術大学院大学, 先端科学技術研究科, 教授 (70397230)
Project Period (FY) 2019-06-28 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥222,300,000 (Direct Cost: ¥171,000,000、Indirect Cost: ¥51,300,000)
Fiscal Year 2023: ¥40,300,000 (Direct Cost: ¥31,000,000、Indirect Cost: ¥9,300,000)
Fiscal Year 2022: ¥41,860,000 (Direct Cost: ¥32,200,000、Indirect Cost: ¥9,660,000)
Fiscal Year 2021: ¥42,510,000 (Direct Cost: ¥32,700,000、Indirect Cost: ¥9,810,000)
Fiscal Year 2020: ¥47,840,000 (Direct Cost: ¥36,800,000、Indirect Cost: ¥11,040,000)
Fiscal Year 2019: ¥49,790,000 (Direct Cost: ¥38,300,000、Indirect Cost: ¥11,490,000)
Keywordsイオニクス / 拡散 / 電気化学 / 第一原理計算 / 連続体計算 / 分子動力学計算 / 計測インフォマティクス / データ駆動型AI解析 / 二次電池 / インフォマティクス / 全固体電池 / 半導体物理
Outline of Research at the Start

蓄電固体材料内の界面では、しばしば特異的なイオンの振舞い(輸送や蓄積)が観測されている。これらは界面付近の電子状態、構造および可動イオン状態の変調が絡み合って生じると予想されるが、既存の電気化学・半導体物理の理論ではこのような複雑な相関を扱うことは未だ難しく、そのメカニズムはわかっていない。本研究では、ナノスケール第一原理計算、高精度メソスケール計算、サブミクロンスケール実験データに関するデータ駆動型AI解析を有機的に組み合わせることでイオンの振舞いをマルチスケールで明らかにする。さらに得られた知見をもとに、電子状態・イオンダイナミクスの相関をより高度に扱える界面理論の構築に取り組む。

Outline of Final Research Achievements

The solid-state device interface, which is a fundamental element of all-solid-state batteries, exhibits unique ion dynamics due to structural modulation such as distortion and metastable phase formation, electronic modulation such as interface level change, and modulation of movable ionic states. Therefore, we have attempted to construct a scientific theory of interface ionics of solid-state device through the development and integration of advanced technologies such as first-principles and molecular dynamics calculations focusing on electrons and ions, micron-level mesoscale calculations, and AI analysis using measurement data. As a result, we have proposed world-first concepts and methods such as a theory based on electrochemical potentials and non-equilibrium steady-state analysis, in addition to new findings on electron and ion transfer at interfaces.

Academic Significance and Societal Importance of the Research Achievements

界面現象の理解はいまだに様々な分野において重要課題となっている。我々が提示しした蓄電固体界面科学に関する新理論、新概念、新手法はこの蓄電固体に限らず界面イオニクス一般に対して重要な基礎的知見を与えるものになっている。またこの理論は全固体電池やスーパーキャパシタなど次世代エネルギー蓄積デバイスの基礎を担うものであり、カーボンニュートラル社会に向けた材料科学の進展に大きく貢献するものと考えられる。

Report

(6 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • Research Products

    (389 results)

All 2024 2023 2022 2021 2020 2019 Other

All Journal Article (108 results) (of which Int'l Joint Research: 34 results,  Peer Reviewed: 108 results,  Open Access: 88 results) Presentation (273 results) (of which Int'l Joint Research: 116 results,  Invited: 99 results) Remarks (7 results) Funded Workshop (1 results)

  • [Journal Article] Unified understanding and mitigation of detrimental phase transition in cobalt-free LiNiO22024

    • Author(s)
      Konuma Itsuki、Ikeda Naohiro、Campeon Benoit D.L.、Fujimura Hinata、Kikkawa Jun、Luong Huu Duc、Tateyama Yoshitaka、Ugata Yosuke、Yonemura Masao、Ishigaki Toru、Aida Taira、Yabuuchi Naoaki
    • Journal Title

      Energy Storage Materials

      Volume: 66 Pages: 103200-103200

    • DOI

      10.1016/j.ensm.2024.103200

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Chloride electrode composed of ubiquitous elements for high-energy-density all-solid-state sodium-ion batteries2024

    • Author(s)
      N. Tanibata, N. Nonaka, K. Makino, H. Takeda, M. Nakayama
    • Journal Title

      Sci. Rep.

      Volume: 14 Issue: 1 Pages: 2703-2703

    • DOI

      10.1038/s41598-024-53154-5

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Characterization of a Novel Chloride Li-ion Conductor Li<sub>2</sub>LuCl<sub>5</sub>2023

    • Author(s)
      S. Aizu, N. Tanibata, H. Takeda, M. Nakayama
    • Journal Title

      Electrochemistry

      Volume: 91 Issue: 11 Pages: 117004-117004

    • DOI

      10.5796/electrochemistry.23-00063

    • ISSN
      1344-3542, 2186-2451
    • Year and Date
      2023-11-21
    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities2023

    • Author(s)
      Luong Huu Duc、Xu Chenchao、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      Journal of Power Sources

      Volume: 569 Pages: 232969-232969

    • DOI

      10.1016/j.jpowsour.2023.232969

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nonequilibrium molecular dynamics for accelerated computation of ion-ion correlated conductivity beyond Nernst-Einstein limitation2023

    • Author(s)
      Sasaki Ryoma、Gao Bo、Hitosugi Taro、Tateyama Yoshitaka
    • Journal Title

      npj Computational Materials

      Volume: 9 Issue: 1 Pages: 48-48

    • DOI

      10.1038/s41524-023-00996-8

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions2023

    • Author(s)
      Jang Seong-Hoon、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 127 Issue: 27 Pages: 5734-5744

    • DOI

      10.1021/acs.jpca.3c00076

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Theoretical Prediction and High-Pressure Synthesis of New LISICON-Type Solid-State Electrolyte Li2.75[B0.625P0.125S0.25]O3.3752023

    • Author(s)
      Ikeda Masahito、Jalem Randy、Hasegawa Gen、Kuwata Naoaki、Liu Qiumin、Yamamoto Takafumi、Shigematsu Kei、Tateyama Yoshitaka、Azuma Masaki
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 29 Pages: 14117-14124

    • DOI

      10.1021/acs.jpcc.3c02842

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods2023

    • Author(s)
      Jalem Randy、Tateyama Yoshitaka、Takada Kazunori、Jang Seong-Hoon
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 35 Pages: 17307-17323

    • DOI

      10.1021/acs.jpcc.3c02801

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery2023

    • Author(s)
      Wenchong Zhou, Chenchao Xu, Bo Gao, Masanobu Nakayama, Shunsuke Yagi, Yoshitaka Tateyama
    • Journal Title

      ACS Energy Lett.

      Volume: 8 Issue: 10 Pages: 4113-4118

    • DOI

      10.1021/acsenergylett.3c01084

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Lithium dynamics at grain boundaries of β-Li3PS4 solid electrolyte2023

    • Author(s)
      Jalem Randy、Chandrappa Manas Likhit Holekevi、Qi Ji、Tateyama Yoshitaka、Ong Shyue Ping
    • Journal Title

      Energy Advances

      Volume: 2 Issue: 12 Pages: 2029-2041

    • DOI

      10.1039/d3ya00234a

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Bo Gao, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 15 Issue: 46 Pages: 53614-53622

    • DOI

      10.1021/acsami.3c14444

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Optimization of Force-field Potential parameters using conditional variational autoencoder2023

    • Author(s)
      Koki Matsunoshita, Yudai Yamaguchi, Masato Hamaie, Motoki Horibe, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Masayuki Karasuyama, Ryo Kobayashi
    • Journal Title

      Sci. Tech. Adv. Mater.:Methods

      Volume: 3 Issue: 1 Pages: 2253713-2253713

    • DOI

      10.1080/27660400.2023.2253713

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Increasing the Sodium Metal Electrode Compatibility with the Na3PS4 Solid-State Electrolyte through Heteroatom Substitution2023

    • Author(s)
      Lieven Bekaert, Suzuno Akatsuka, Naoto Tanibata, Frank De Proft, Annick Hubin, Mesfin Haile Mamme, Masanobu Nakayama
    • Journal Title

      ChemSusChem

      Volume: 16 Issue: 20

    • DOI

      10.1002/cssc.202300676

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Assessing the Reactivity of the Na3PS4 Solid-State Electrolyte with the Sodium Metal Negative Electrode Using Total Trajectory Analysis with Neural-Network Potential Molecular Dynamics2023

    • Author(s)
      Lieven Bekaert, Suzuno Akatsuka, Naoto Tanibata, Frank De Proft, Annick Hubin, Mesfin Haile Mamme, Masanobu Nakayama
    • Journal Title

      J. Phys. Chem. C

      Volume: 127 Issue: 18 Pages: 8503-8514

    • DOI

      10.1021/acs.jpcc.3c02379

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Reaction Kinetics of Carbonation at the Surface of Garnet-Type Li7La3Zr2O12 as Solid Electrolytes for All-Solid-State Li Ion Batteries2023

    • Author(s)
      Masanobu Nakayama, Takuya Horie, Ryosuke Natsume, Shogo Hashimura, Naoto Tanibata, Hayami Takeda, Hirotaka Maeda, Masashi Kotobuki
    • Journal Title

      J. Phys. Chem. C

      Volume: 127 Issue: 16 Pages: 7595-7601

    • DOI

      10.1021/acs.jpcc.2c08588

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Partially Reversible Anionic Redox for Lithium-Excess Cobalt Oxides with Cation-Disordered Rocksalt Structure2023

    • Author(s)
      Zhang Yanjia、Sawamura Miho、Harada Maho、Noda Yusuke、Nakayama Masanobu、Goto Masato、Kan Daisuke、Shimakawa Yuichi、Louis Camp?on Beno?t Denis、Shibata Daisuke、Ohta Toshiaki、Yabuuchi Naoaki
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 5 Pages: 2194-2203

    • DOI

      10.1021/acs.jpcc.2c08005

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Drawing a materials map with an autoencoder for lithium ionic conductors2023

    • Author(s)
      Y. Yamaguchi, T. Atsumi, K. Kanamori, N. Tanibata, H. Takeda, M. Nakayama, M. Karasuyama, I. Takeuchi,
    • Journal Title

      Sci. Rep.

      Volume: 13 Issue: 1 Pages: 16799-16799

    • DOI

      10.1038/s41598-023-43921-1

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Materials Informatics for Thermistor Properties of Mn-Co-Ni Oxides2023

    • Author(s)
      S.Hashimura, Y. Yamaguchi, H. Takeda, N. Tanibata, M. Nakayama, N. Niizeki, T. Nakaya
    • Journal Title

      J. Phys. Chem. C

      Volume: 127 Issue: 44 Pages: 21665-21674

    • DOI

      10.1021/acs.jpcc.3c03114

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Fast Na-diffusive tin alloy for all-solid-state Na-based batteries2023

    • Author(s)
      N. Tanibata, K. Matsunoshita, H. Takeuchi, S. Akatsuka, M. Koga, H. Takeda, M. Nakayama
    • Journal Title

      J. Mater. Chem. A

      Volume: 11 Issue: 47 Pages: 25859-25864

    • DOI

      10.1039/d3ta02787b

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Analysis of ion conduction behavior of Nb-and Zr-doped Li3InCl6-based materials via material simulation2023

    • Author(s)
      T. Usami, N. Tanibata, H. Takeda, M. Nakayama
    • Journal Title

      APL Mater.

      Volume: 11 Issue: 12 Pages: 121107-121107

    • DOI

      10.1063/5.0167817

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Evidence-based data mining method to reveal similarities between materials based on physical mechanisms2023

    • Author(s)
      Ha Minh-Quyet、Nguyen Duong-Nguyen、Nguyen Viet-Cuong、Kino Hiori、Ando Yasunobu、Miyake Takashi、Denoeux Thierry、Huynh Van-Nam、Dam Hieu-Chi
    • Journal Title

      Journal of Applied Physics

      Volume: 133 Issue: 5 Pages: 053904-053904

    • DOI

      10.1063/5.0134999

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Machine learning-aided Genetic algorithm in investigating the structure property relationship of SmFe12-based structures2023

    • Author(s)
      Nguyen Duong-Nguyen、Dam Hieu-Chi
    • Journal Title

      Journal of Applied Physics

      Volume: 133 Issue: 6 Pages: 063902-063902

    • DOI

      10.1063/5.0134821

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Towards understanding structure - property relations in materials with interpretable deep learning2023

    • Author(s)
      Vu Tien-Sinh、Ha Minh-Quyet、Nguyen Duong-Nguyen、Nguyen Viet-Cuong、Abe Yukihiro、Tran Truyen、Tran Huan、Kino Hiori、Miyake Takashi、Tsuda Koji、Dam Hieu-Chi
    • Journal Title

      npj Computational Materials

      Volume: 9 Issue: 1 Pages: 1-12

    • DOI

      10.1038/s41524-023-01163-9

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Machine learning-derived reaction statistics for 3D spectroimaging of copper sulfidation in heterogeneous rubber/brass composites2023

    • Author(s)
      Matsui Hirosuke、Muramoto Yuta、Niwa Ryusei、Kakubo Takashi、Amino Naoya、Uruga Tomoya、Ha Minh-Quyet、Dinh Duy-Tai、Dam Hieu-Chi、Tada Mizuki
    • Journal Title

      Communications Materials

      Volume: 4 Issue: 1 Pages: 88-88

    • DOI

      10.1038/s43246-023-00413-z

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Coupling x-ray photon correlation spectroscopy and dynamic coherent x-ray diffraction imaging: Particle motion analysis from nano-to-micrometer scale2023

    • Author(s)
      Takazawa Shuntaro、Dao Duc-Anh、Abe Masaki、Uematsu Hideshi、Ishiguro Nozomu、Hoshino Taiki、Dam Hieu Chi、Takahashi Yukio
    • Journal Title

      Physical Review Research

      Volume: 5 Issue: 4

    • DOI

      10.1103/physrevresearch.5.l042019

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Cathode Properties of xLiF-LiCrO2 Composites (x = 0-1.5) Prepared by Dry Ball-Milling Method for Lithium Ion Batteries2023

    • Author(s)
      Kitajou Ayuko、Hiroi Satoshi、Ohara Koji、Ikeda Kazutaka、Nanami Takuma、Muto Shunsuke
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 127 Issue: 6 Pages: 2866-2874

    • DOI

      10.1021/acs.jpcc.2c08419

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Stain-free mapping of polymer-blend morphologies via application of high-voltage STEM-EELS hyperspectral imaging to low-loss spectra2023

    • Author(s)
      H. Umemoto, S. Arai, H. Otobe, S. Muto
    • Journal Title

      Polym. J.

      Volume: 55 Issue: 9 Pages: 997-1006

    • DOI

      10.1038/s41428-023-00786-5

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Microwave assisted preparation of LiFePO4/C coated LiMn1.6Ni0.4O4 for Li-ion batteries with superior electrochemical properties2023

    • Author(s)
      Vasquez F.A.、Rosero-Navarro N.C.、Jalem R.、Miura A.、Goto Y.、Tateyama Y.、Calderon J.A.、Tadanaga K.
    • Journal Title

      Applied Materials Today

      Volume: 30 Pages: 101697-101697

    • DOI

      10.1016/j.apmt.2022.101697

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Lithium Ion Transport Environment by Molecular Vibrations in Ion-Conducting Glasses2023

    • Author(s)
      H. Yamada, K. Ohara, S. Hiroi, A. Sakuda, K. Ikeda, T. Ohkubo, K. Nakada, H. Tsukasaki, H. Nakajima, L. Temleitner, L. Pusztai, S. Ariga, A. Matsuo, J. Ding, T. Nakano, T. Kimura, R. Kobayashi, T. Usuki, S. Tahara, K. Amezawa, Y. Tateyama, S. Mori, A. Hayashi
    • Journal Title

      Energy Environ. Mater.

      Volume: 0 Issue: 3

    • DOI

      10.1002/eem2.12612

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Advanced Measurement and Analysis Systems Using AI/ML for Next Generation Materials Development―Multifaceted View 2―2022

    • Author(s)
      Okamoto Kazuya、Sugiyama Masaaki、Muto Shunsuke、Aoyagi Satoka、Tomiya Shigetaka
    • Journal Title

      Materia Japan

      Volume: 61 Issue: 9 Pages: 579-587

    • DOI

      10.2320/materia.61.579

    • ISSN
      1340-2625, 1884-5843
    • Year and Date
      2022-09-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Advanced Measurement and Analysis Systems Using AI/ML for Next Generation Materials Development ―Multifaceted View 1―2022

    • Author(s)
      Okamoto Kazuya、Sugiyama Masaaki、Muto Shunsuke、Aoyagi Satoka、Tomiya Shigetaka
    • Journal Title

      Materia Japan

      Volume: 61 Issue: 8 Pages: 470-478

    • DOI

      10.2320/materia.61.470

    • ISSN
      1340-2625, 1884-5843
    • Year and Date
      2022-08-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Explainable active learning in investigating structure stability of SmFe12-α-βXαYβ structures X, Y {Mo, Zn, Co, Cu, Ti, Al, Ga}2022

    • Author(s)
      Nguyen Duong-Nguyen、Kino Hiori、Miyake Takashi、Dam Hieu-Chi
    • Journal Title

      MRS Bulletin

      Volume: 48 Issue: 1 Pages: 31-44

    • DOI

      10.1557/s43577-022-00372-9

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Atomistic insight into the dopant impacts at the garnet Li7La3Zr2O12 solid electrolyte grain boundaries2022

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 10 Issue: 18 Pages: 10083-10091

    • DOI

      10.1039/d2ta00545j

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tuning the Electronic, Ion Transport, and Stability Properties of Li-rich Manganese-based Oxide Materials with Oxide Perovskite Coatings: A First-Principles Computational Study2022

    • Author(s)
      Zizhen Zhou, Dewei Chu, Bo Gao, Toshiyuki Momma, Yoshitaka Tateyama, Claudio Cazorla
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 14 Issue: 32 Pages: 37009-37018

    • DOI

      10.1021/acsami.2c07560

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes2022

    • Author(s)
      Jang Seong‐Hoon、Tateyama Yoshitaka、Jalem Randy
    • Journal Title

      Advanced Functional Materials

      Volume: 32 Issue: 48 Pages: 2206036-2206036

    • DOI

      10.1002/adfm.202206036

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Bayesian optimisation with transfer learning for NASICON-type solid electrolytes for all-solid-state Li-metal batteries2022

    • Author(s)
      Fukuda Hiroko、Kusakawa Shunya、Nakano Koki、Tanibata Naoto、Takeda Hayami、Nakayama Masanobu、Karasuyama Masayuki、Takeuchi Ichiro、Natori Takaaki、Ono Yasuharu
    • Journal Title

      RSC Advances

      Volume: 12 Issue: 47 Pages: 30696-30703

    • DOI

      10.1039/d2ra04539g

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Process optimisation for NASICON-type solid electrolyte synthesis using a combination of experiments and bayesian optimisation2022

    • Author(s)
      Takeda Hayami、Fukuda Hiroko、Nakano Koki、Hashimura Syogo、Tanibata Naoto、Nakayama Masanobu、Ono Yasuharu、Natori Takaaki
    • Journal Title

      Materials Advances

      Volume: 3 Issue: 22 Pages: 8141-8148

    • DOI

      10.1039/d2ma00731b

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Computational studies on defect chemistry and Li-ion conductivity of spinel-type LiAl5O8 as coating material for Li-metal electrode2022

    • Author(s)
      Miyakawa Shuntaro、Matsuda Shogo、Tanibata Naoto、Takeda Hayami、Nakayama Masanobu、Saito Takaya、Fukuchi Svetlana
    • Journal Title

      Scientific Reports

      Volume: 12 Issue: 1 Pages: 1-11

    • DOI

      10.1038/s41598-022-20289-2

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Applying the HSAB design principle to the 3.5 V-class all-solid-state Li-ion batteries with a chloride electrolyte2022

    • Author(s)
      Tanibata Naoto、Takimoto Shuta、Aizu Shin、Takeda Hayami、Nakayama Masanobu
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 10 Issue: 39 Pages: 20756-20760

    • DOI

      10.1039/d2ta05152d

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Na superionic conductor-type LiZr<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> as a promising solid electrolyte for use in all-solid-state Li metal batteries2022

    • Author(s)
      Nakayama Masanobu、Nakano Koki、Harada Maho、Tanibata Naoto、Takeda Hayami、Noda Yusuke、Kobayashi Ryo、Karasuyama Masayuki、Takeuchi Ichiro、Kotobuki Masashi
    • Journal Title

      Chemical Communications

      Volume: 58 Issue: 67 Pages: 9328-9340

    • DOI

      10.1039/d2cc01526a

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Unexpectedly Large Contribution of Oxygen to Charge Compensation Triggered by Structural Disordering: Detailed Experimental and Theoretical Study on a Li<sub>3</sub>NbO<sub>4</sub>?NiO Binary System2022

    • Author(s)
      Fukuma Ryutaro、Harada Maho、Zhao Wenwen、Sawamura Miho、Noda Yusuke、Nakayama Masanobu et al.
    • Journal Title

      ACS Central Science

      Volume: 8 Issue: 6 Pages: 775-794

    • DOI

      10.1021/acscentsci.2c00238

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Kinetic square scheme in oxygen-redox battery electrodes2022

    • Author(s)
      Kosuke Kawai, Xiang-Mei Shi, Norio Takenaka, Jeonguk Jang, Benoit Mortemard de Boisse, Akihisa Tsuchimoto, Daisuke Asakura, Jun Kikkawa, Masanobu Nakayama, Masashi Okubo, Atsuo Yamada
    • Journal Title

      Energy & Environmental Science

      Volume: - Issue: 6 Pages: 2591-2600

    • DOI

      10.1039/d1ee03503g

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Materials Simulation for the Modulated Arrangement in A-Site Deficient Perovskite-Type Lithium Doped Lanthanum Niobate as Solid Electrolytes for All Solid-State Li Ion Batteries2022

    • Author(s)
      Yang Zijian、Nakayama Masanobu
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 91 Issue: 9 Pages: 91010-91010

    • DOI

      10.7566/jpsj.91.091010

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      2022 Annual Research Report
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  • [Journal Article] Simulation of All-Solid-State Lithium-Ion Batteries With Fastening Stress and Volume Expansion2022

    • Author(s)
      Keita Nunoshita, Ryusei Hirate, Magnus So, Kayoung Park, Xuanchen LIU, Naoki Kimura, Gen Inoue, Yoshifumi Tsuge
    • Journal Title

      J. Electrochem. En. Conv. Stor

      Volume: 19 Issue: 2 Pages: 44-44

    • DOI

      10.1115/1.4054015

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      2022 Annual Research Report 2021 Annual Research Report
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  • [Journal Article] Simulation of the compaction of an all-solid-state battery cathode with coated particles using the discrete element method2022

    • Author(s)
      Magnus So, Gen Inoue, Kayoung Park, Keita Nunoshita, Shota Ishikawa, Yoshifumi Tsuge
    • Journal Title

      JOURNAL OF POWER SOURCES

      Volume: 530 Pages: 231279-231279

    • DOI

      10.1016/j.jpowsour.2022.231279

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      2022 Annual Research Report 2021 Annual Research Report
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  • [Journal Article] Stress Prediction of the Particle Structure of All-Solid-State Batteries by Numerical Simulation and Machine Learning2022

    • Author(s)
      Chiyuri Komori, Shota Ishikawa, Keita Nunoshita, Magnus So, Naoki Kimura, Gen Inoue,Yoshifumi Tsuge
    • Journal Title

      Front.Chem.Eeg.

      Volume: 4 Pages: 836282-836282

    • DOI

      10.3389/fceng.2022.836282

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      2022 Annual Research Report 2021 Annual Research Report
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  • [Journal Article] Mechanism of Silicon Fragmentation in All-Solid-State Battery Evaluated by Discrete Element Method2022

    • Author(s)
      Magnus So; Shinichiro Yano; Agnesia Permatasari; Thi Dung Pham; Kayoung Park; Gen Inoue
    • Journal Title

      Journal of Power Sources

      Volume: 546 Pages: 231956-231956

    • DOI

      10.1016/j.jpowsour.2022.231956

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Contact Model for DEM Simulation of Compaction and Sintering of All-Solid-State Battery Electrodes2022

    • Author(s)
      Magnus So, Gen Inoue, Kayoung Park, Keita Nunoshita, Shota Ishikawa, Yoshifumi Tsuge
    • Journal Title

      MethodsX

      Volume: 9 Pages: 231279-231279

    • DOI

      10.1016/j.mex.2022.101857

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      2022 Annual Research Report
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  • [Journal Article] Anode Properties of NaTi2(PO4)3 Prepared by Adding Excess Na2CO3 for Aqueous Sodium-Ion Batteries2022

    • Author(s)
      Kitajou Ayuko、Yamashita Maho、Kobayashi Wataru、Okada Masaki、Nanami Takuma、Muto Shunsuke
    • Journal Title

      ACS Applied Energy Materials

      Volume: 5 Issue: 8 Pages: 9587-9594

    • DOI

      10.1021/acsaem.2c01212

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Variation of Local Structure and Reactivity of Pt/C Catalyst for Accelerated Degradation Test of Polymer Electrolyte Fuel Cell Visualized by Operando 3D CT‐XAFS Imaging2022

    • Author(s)
      Matsui Hirosuke、Ishiguro Nozomu、Tan Yuanyuan、Maejima Naoyuki、Muramoto Yuta、Uruga Tomoya、Higashi Kotaro、Nguyen Duong‐Nguyen、Dam Hieu‐Chi、Samjesk? Gabor、Tada Mizuki
    • Journal Title

      ChemNanoMat

      Volume: 8 Issue: 4

    • DOI

      10.1002/cnma.202200008

    • Related Report
      2022 Annual Research Report
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  • [Journal Article] Theoretical study on stability and ion transport property with halide doping of Na3SbS4 electrolyte for all-solid-state batteries2022

    • Author(s)
      Randy Jalem, Bo Gao, Hong-Kang Tian, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 10 Issue: 5 Pages: 2235-2248

    • DOI

      10.1039/d1ta07292g

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] Revealing Atomic-Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte2022

    • Author(s)
      Bo Gao, Randy Jalem, Hong-Kang Tian, Yoshitaka Tateyama
    • Journal Title

      Adv. Energy Mater.

      Volume: 12 Issue: 3 Pages: 2102151-2102151

    • DOI

      10.1002/aenm.202102151

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] STEM-EELS Spectrum Imaging of an Aerosol-Deposited NASICON-Type LATP Solid Electrolyte and LCO Cathode Interface2022

    • Author(s)
      S.Muto, Y.Yamamoto, M.Sakakura, Hong-Kang Tian, Y.Tateyama, Y.Iriyama
    • Journal Title

      ACS Applied Energy Materials

      Volume: 5 Issue: 1 Pages: 98-107

    • DOI

      10.1021/acsaem.1c02512

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] Density Functional Theory Studies on Li Metal Electrode/Garnet-Type Li7La3Zr2O12 Solid Electrolyte Interfaces for Application in All-Solid-State Batteries2022

    • Author(s)
      Rinon Iwasaki, Kunihiro Ishida, Risa Yasuda, Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Naoki Watanabe
    • Journal Title

      Phys Status Solidi B Basic Res

      Volume: - Issue: 9 Pages: 202100546-202100546

    • DOI

      10.1002/pssb.202100546

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] Non-equilibrium molecular dynamics study on atomistic origin of grain boundary resistivity in NASICON-type Li-ion conductor2022

    • Author(s)
      Ryo Kobayashi, Koki Nakano, Masanobu Nakayama
    • Journal Title

      Acta Mater

      Volume: 226 Pages: 117596-117596

    • DOI

      10.1016/j.actamat.2021.117596

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] Octahedral Tilting and Modulation Structure in Perovskite-Related Compound La1/3NbO32022

    • Author(s)
      Yusuke Sakai, Daisuke Urushihara, Toru Asaka, Koichiro Fukuda, Zijian Yang, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Journal Title

      Phys Status Solidi B Basic Res

      Volume: - Issue: 9 Pages: 202100561-202100561

    • DOI

      10.1002/pssb.202100561

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Materials informatics for discovery of ion conductive ceramics for batteries2021

    • Author(s)
      Masanobu Nakayama
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 129 Issue: 6 Pages: 286-291

    • DOI

      10.2109/jcersj2.21030

    • NAID

      130008046936

    • ISSN
      1348-6535, 1882-0743
    • Year and Date
      2021-06-01
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Identifying Parameters from Discharging and Relaxation Curves of Lithium-Ion Batteries Using Porous Electrode Theory2021

    • Author(s)
      Gen Inoue, Hiroki Mashioka, Naoki Kimura, Yoshifumi Tsuge
    • Journal Title

      JOURNAL OF CHEMICAL ENGINEERING OF JAPAN

      Volume: 54 Issue: 5 Pages: 207-212

    • DOI

      10.1252/jcej.20we180

    • NAID

      130008040414

    • ISSN
      0021-9592, 1881-1299
    • Year and Date
      2021-05-20
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery2021

    • Author(s)
      Yong Youn, Bo Gao, Azusa Kamiyama, Kei Kubota, Shinichi Komaba, Yoshitaka Tateyama
    • Journal Title

      npj Comput. Mater.

      Volume: 7 Issue: 1 Pages: 48-48

    • DOI

      10.1038/s41524-021-00515-7

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Tuning the performance of a Mg negative electrode through grain boundaries and alloying toward the realization of Mg batteries2021

    • Author(s)
      Hong-Kang Tian, Randy Jalem, Masaki Matsui, Toshihiko Mandai, Hidetoshi Somekawa, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 9 Issue: 27 Pages: 15207-15216

    • DOI

      10.1039/d1ta02419a

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles DFT study on Inverse Ruddlesden-Popper Tetragonal Compounds as Solid Electrolytes for All-Solid-State Li+-Ion Batteries2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Journal Title

      Chem. Mater.

      Volume: 33 Issue: 15 Pages: 5859-5871

    • DOI

      10.1021/acs.chemmater.1c00124

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Peculiarly Fast Li-ion Conduction Mechanism in a Succinonitrile-Based Molecular Crystal Electrolyte: A Molecular Dynamics Study2021

    • Author(s)
      Ryoma Sasaki, Makoto Moriya, Yuki Watanabe, Kazunori Nishio, Taro Hitosugi, Yoshitaka Tateyama
    • Journal Title

      J. Mater. Chem. A

      Volume: 9 Issue: 26 Pages: 14897-14903

    • DOI

      10.1039/d1ta02809j

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Boron position-dependent surface reconstruction and electronic states of boron-doped diamond(111) surfaces: an ab initio study2021

    • Author(s)
      Le The Anh, Francesca Celine I. Catalan, Yousoo Kim, Yasuaki Einaga, Yoshitaka Tateyama
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 23 Issue: 29 Pages: 15628-15634

    • DOI

      10.1039/d1cp00689d

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Density Functional Theory and Machine Learning-Based Analyses for Improved Surface Stability of a BaTiO3-Coated LiCoO2 Positive Electrode Material2021

    • Author(s)
      Kunihiro Ishida, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Takashi Teranishi, Naoki Watanabe
    • Journal Title

      Phys Status Solidi B Basic Res

      Volume: - Issue: 9 Pages: 202100526-202100526

    • DOI

      10.1002/pssb.202100526

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Molecular Dynamics Simulation of Li-Ion Conduction at Grain Boundaries in NASICON-Type LiZr2(PO4)3 Solid Electrolytes2021

    • Author(s)
      Koki Nakano, Naoto Tanibata, Hayami Takeda, Ryo Kobayashi*, Masanobu Nakayama*, Naoki Watanabe
    • Journal Title

      J. Phys. Chem. C

      Volume: 43 Issue: 43 Pages: 23604-23612

    • DOI

      10.1021/acs.jpcc.1c07314

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Exploring the diffusion mechanism of Li ions in different modulated arrangements of La(1-X)/3LixNbO3 with fitted force fields obtained via a metaheuristic algorithm2021

    • Author(s)
      Zijian Yang, Robyn E. Ward, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Ryo Kobayashi
    • Journal Title

      Solid State Ion

      Volume: 366 Pages: 115662-115662

    • DOI

      10.1016/j.ssi.2021.115662

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-principles Study of the Morphology and Surface Structure of LaCoO3 and La0.5Sr0.5Fe0.5Co0.5O3 Perovskites as Air Electrodes for Solid Oxide Fuel Cells2021

    • Author(s)
      Masanobu Nakayama, Katsuya Nishii, Kentaro Watanabe, Naoto Tanibata, Hayami Takeda, Takanori Itoh, Toru Asaka
    • Journal Title

      Adv. Mater. Method

      Volume: 1 Issue: 1 Pages: 24-33

    • DOI

      10.1080/27660400.2021.1909871

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Effect of mold pressure on compaction and ion conductivity of all-solid-state batteries revealed by the discrete element method2021

    • Author(s)
      M. So, G. Inoue, R. Hirate, K. Nunoshita, S. Ishikawa, Y. Tsuge
    • Journal Title

      JOURNAL OF POWER SOURCES

      Volume: 508 Pages: 230344-230344

    • DOI

      10.1016/j.jpowsour.2021.230344

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Visualization of Structural Heterogeneities in Particles of Lithium Nickel Manganese Oxide Cathode Materials by Ptychographic X-ray Absorption Fine Structure2021

    • Author(s)
      Uematsu Hideshi、Ishiguro Nozomu、Abe Masaki、Takazawa Shuntaro、Kang Jungmin、Hosono Eiji、Nguyen Nguyen Duong、Dam Hieu Chi、Okubo Masashi、Takahashi Yukio
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 12 Issue: 24 Pages: 5781-5788

    • DOI

      10.1021/acs.jpclett.1c01445

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Evidence-based recommender system for high-entropy alloys2021

    • Author(s)
      Minh-Quyet Ha, Duong-Nguyen Nguyen, Viet-Cuong Nguyen, Takahiro Nagata, Toyohiro Chikyow, Hiori Kino, Takashi Miyake, Thierry Denoeux, Van-Nam Huynh, Hieu-Chi Dam
    • Journal Title

      Nature Computational Science

      Volume: 1 Issue: 7 Pages: 470-478

    • DOI

      10.1038/s43588-021-00097-w

    • Related Report
      2021 Annual Research Report
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  • [Journal Article] Variational Hyper-encoding Networks2021

    • Author(s)
      Phuoc Nguyen, Truyen Tran, Sunil Gupta, Santu Rana, Hieu-Chi Dam, Svetha Venkatesh
    • Journal Title

      ECML PKDD

      Volume: 1 Pages: 100-115

    • DOI

      10.1007/978-3-030-86520-7_7

    • ISBN
      9783030865191, 9783030865207
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] 2D‐HARECXS analysis of dopant and oxygen vacancy sites in Al‐doped yttrium titanate2021

    • Author(s)
      Ohtsuka Masahiro、Oda Kenji、Tanaka Makoto、Kitaoka Satoshi、Muto Shunsuke
    • Journal Title

      Journal of the American Ceramic Society

      Volume: 104 Issue: 7 Pages: 3760-3769

    • DOI

      10.1111/jace.17764

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 次元削減法とそのスペクトル解析への応用2021

    • Author(s)
      武藤俊介, 志賀元紀
    • Journal Title

      ふぇらむ

      Volume: 26 Pages: 32-40

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Simulation of Fabrication and Degradation of All-Solid-State Batteries with Ductile Particles2021

    • Author(s)
      So Magnus、Inoue Gen、Hirate Ryusei、Nunoshita Keita、Ishikawa Shota、Tsuge Yoshifumi
    • Journal Title

      Journal of The Electrochemical Society

      Volume: 168 Issue: 3 Pages: 030538-030538

    • DOI

      10.1149/1945-7111/abed23

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Low-Resistive LiCoO2/Li1.3Al0.3Ti2(PO4)3 Interface Formation by Low-Temperature Annealing Using Aerosol Deposition2021

    • Author(s)
      M. Sakakura, Y. Suzuki, T. Yamamoto, Y. Yamamoto, M. Motoyama, Y. Iriyama
    • Journal Title

      Energy Technlogy

      Volume: 9 Issue: 5 Pages: 2001059-2001059

    • DOI

      10.1002/ente.202001059

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ultrafast charge transfer at the electrode-electrolyte interface via an artificial dielectric layer2021

    • Author(s)
      Teranishi Takashi、Kozai Kaisei、Yasuhara Sou、Yasui Shintaro、Ishida Naoyuki、Ishida Kunihiro、Nakayama Masanobu、Kishimoto Akira
    • Journal Title

      Journal of Power Sources

      Volume: 494 Pages: 229710-229710

    • DOI

      10.1016/j.jpowsour.2021.229710

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery2021

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 13 Issue: 10 Pages: 11765-11773

    • DOI

      10.1021/acsami.0c19091

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Structural Transition with a Sharp Change in the Electrical Resistivity and Spin-Orbit Mott Insulating State in a Rhenium Oxide, Sr3Re2O92021

    • Author(s)
      Urushihara Daisuke、Asaka Toru、Fukuda Koichiro、Nakayama Masanobu、Nakahira Yuki、Moriyoshi Chikako、Kuroiwa Yoshihiro、Forslund Ola K.、Matsubara Nami、Mansson Martin、Papadopoulos Konstantinos、Sassa Yasmine、Ohishi Kazuki、Sugiyama Jun、Matsushita Yoshitaka、Sakurai Hiroya
    • Journal Title

      Inorganic Chemistry

      Volume: 60 Issue: 2 Pages: 507-514

    • DOI

      10.1021/acs.inorgchem.0c02750

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] 4.データ科学と第一原理計算を活用した蓄電池用固体電解質の物性評価2020

    • Author(s)
      中山 将伸, 中野 高毅
    • Journal Title

      Denki Kagaku

      Volume: 88 Issue: 1 Pages: 21-27

    • DOI

      10.5796/denkikagaku.20-FE0005

    • NAID

      130007806100

    • ISSN
      2433-3255, 2433-3263
    • Year and Date
      2020-03-05
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Efficient Experimental Search for Discovering a Fast Li-Ion Conductor from a Perovskite-Type LixLa(1-x)/3NbO3 (LLNO) Solid-State Electrolyte Using Bayesian Optimization2020

    • Author(s)
      Yang Zijian、Suzuki Shinya、Tanibata Naoto、Takeda Hayami、Nakayama Masanobu、Karasuyama Masayuki、Takeuchi Ichiro
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 125 Issue: 1 Pages: 152-160

    • DOI

      10.1021/acs.jpcc.0c08887

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Electron and Ion Transfer across Interfaces of the NASICON-Type LATP Solid Electrolyte with Electrodes in All-Solid-State Batteries: A Density Functional Theory Study via an Explicit Interface Model2020

    • Author(s)
      H. K. Tian, R. Jalem, B. Gao, Y. Yamamoto, S. Muto, M. Sakakura, Y. Iriyama, and Y. Tateyama
    • Journal Title

      ACS Appl. Mater. Interfaces

      Volume: 12 Issue: 49 Pages: 54752-54762

    • DOI

      10.1021/acsami.0c16463

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Explainable machine learning for materials discovery: predicting the potentially formable Nd-Fe-B crystal structures and extracting the structure-stability relationship2020

    • Author(s)
      Pham Tien-Lam、Nguyen Duong-Nguyen、Ha Minh-Quyet、Kino Hiori、Miyake Takashi、Dam Hieu-Chi
    • Journal Title

      IUCrJ

      Volume: 7 Issue: 6 Pages: 1036-1047

    • DOI

      10.1107/s2052252520010088

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Comparative Study on Sulfide and Oxide Electrolyte Interfaces with Cathodes in All-Solid-State Battery via First-Principles Calculations2020

    • Author(s)
      Okuno Yukihiro、Haruyama Jun、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Energy Materials

      Volume: 3 Issue: 11 Pages: 11061-11072

    • DOI

      10.1021/acsaem.0c02033

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Solvent screening for efficient chemical exfoliation of graphite2020

    • Author(s)
      Nu Thanh Ton Nhan、Ha Minh-Quyet、Ikenaga Takuma、Thakur Ashutosh、Dam Hieu-Chi、Taniike Toshiaki
    • Journal Title

      2D Materials

      Volume: 8 Issue: 1 Pages: 015019-015019

    • DOI

      10.1088/2053-1583/abc08a

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Calculation Study of Na+ Superionic Conduction Mechanism in W- and Mo-Doped Na3SbS4 Solid Electrolytes2020

    • Author(s)
      Jalem Randy、Hayashi Akitoshi、Tsuji Fumika、Sakuda Atsushi、Tateyama Yoshitaka
    • Journal Title

      Chemistry of Materials

      Volume: 32 Issue: 19 Pages: 8373-8381

    • DOI

      10.1021/acs.chemmater.0c02318

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] High Formability and Fast Lithium Diffusivity in Metastable Spinel Chloride for Rechargeable All‐Solid‐State Lithium‐Ion Batteries2020

    • Author(s)
      Tanibata Naoto、Kato Masashi、Takimoto Shuta、Takeda Hayami、Nakayama Masanobu、Sumi Hirofumi
    • Journal Title

      Advanced Energy and Sustainability Research

      Volume: 1 Issue: 1 Pages: 2000025-2000025

    • DOI

      10.1002/aesr.202000025

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Boron cage effects on Nd-Fe-B crystal structure’s stability2020

    • Author(s)
      Nguyen Duong-Nguyen、Dao Duc-Anh、Miyake Takashi、Dam Hieu-Chi
    • Journal Title

      The Journal of Chemical Physics

      Volume: 153 Issue: 11 Pages: 114111-114111

    • DOI

      10.1063/5.0015977

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] スペクトラムイメージデータのノイズ処理と信号抽出の最近の進展2020

    • Author(s)
      武藤 俊介、志賀 元紀
    • Journal Title

      顕微鏡

      Volume: 55 Pages: 60-64

    • NAID

      130007897865

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-throughput production of force-fields for solid-state electrolyte materials2020

    • Author(s)
      Kobayashi Ryo、Miyaji Yasuhiro、Nakano Koki、Nakayama Masanobu
    • Journal Title

      APL Materials

      Volume: 8 Issue: 8 Pages: 081111-081111

    • DOI

      10.1063/5.0015373

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Bayesian-optimization-guided experimental search of NASICON-type solid electrolytes for all-solid-state Li-ion batteries2020

    • Author(s)
      Harada Maho、Takeda Hayami、Suzuki Shinya、Nakano Koki、Tanibata Naoto、Nakayama Masanobu、Karasuyama Masayuki、Takeuchi Ichiro
    • Journal Title

      Journal of Materials Chemistry A

      Volume: 8 Issue: 30 Pages: 15103-15109

    • DOI

      10.1039/d0ta04441e

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Metastable Chloride Solid Electrolyte with High Formability for Rechargeable All-Solid-State Lithium Metal Batteries2020

    • Author(s)
      Tanibata Naoto、Takimoto Shuta、Nakano Koki、Takeda Hayami、Nakayama Masanobu、Sumi Hirofumi
    • Journal Title

      ACS Materials Letters

      Volume: 2 Issue: 8 Pages: 880-886

    • DOI

      10.1021/acsmaterialslett.0c00127

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exhaustive and informatics-aided search for fast Li-ion conductor with NASICON-type structure using material simulation and Bayesian optimization2020

    • Author(s)
      Nakano Koki, Noda Yusuke, Tanibata Naoto, Takeda Hayami, Nakayama Masanobu, Kobayashi Ryo, Takeuchi Ichiro
    • Journal Title

      APL Materials

      Volume: in press Issue: 4 Pages: 041112-041112

    • DOI

      10.1063/5.0007414

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Arrangement in La1/3NbO3 Obtained by First-Principles Density Functional Theory with Cluster Expansion and Monte Carlo Simulation2020

    • Author(s)
      Zijian Yang, Robyn E Ward, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Toru Asaka
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: in press Issue: 18 Pages: 9746-9754

    • DOI

      10.1021/acs.jpcc.0c01350

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Surface-Dependent Stability of the Interface between Garnet Li7La3Zr2O12 and the Li Metal in the All-Solid-State Battery from First-Principles Calculations2020

    • Author(s)
      Gao Bo、Jalem Randy、Tateyama Yoshitaka
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 12 Issue: 14 Pages: 16350-16358

    • DOI

      10.1021/acsami.9b23019

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Activation and stabilization mechanisms of anionic redox for Li storage applications: Joint experimental and theoretical study on Li2TiO3?LiMnO2 binary system2020

    • Author(s)
      Kobayashi Yuki、Sawamura Miho、Kondo Sayaka、Harada Maho、Noda Yusuke、Nakayama Masanobu、Kobayakawa Sho、Zhao Wenwen、Nakao Aiko、Yasui Akira、Rajendra Hongahally Basappa、Yamanaka Keisuke、Ohta Toshiaki、Yabuuchi Naoaki
    • Journal Title

      Materials Today

      Volume: in-press Pages: 43-55

    • DOI

      10.1016/j.mattod.2020.03.002

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Multiorbital bond formation for stable oxygen-redox reaction in battery electrodes2020

    • Author(s)
      Takaaki Sudayama, Kazuki Uehara, Takahiro Mukai, Daisuke Asakura, Xiang-Mei Shi, Akihisa Tsuchimoto, Benoit Mortemard de Boisse, Tatau Shimada, Eriko Watanabe, Yoshihisa Harada, Masanobu Nakayama, Masashi Okubo and Atsuo Yamada
    • Journal Title

      Energy Environ. Sci.

      Volume: 1 Issue: 5 Pages: 1-1

    • DOI

      10.1039/c9ee04197d

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Li-ion transport at the interface between a graphite anode and Li2CO3 solid electrolyte interphase: ab initio molecular dynamics study2020

    • Author(s)
      Baba Takeshi、Sodeyama Keitaro、Kawamura Yoshiumi、Tateyama Yoshitaka
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 22 Issue: 19 Pages: 10764-10774

    • DOI

      10.1039/c9cp06608j

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Descriptors for dielectric constants of perovskite-type oxides by materials informatics with first-principles density functional theory2020

    • Author(s)
      Noda Yusuke、Otake Masanari、Nakayama Masanobu
    • Journal Title

      Science and Technology of Advanced Materials

      Volume: 21 Issue: 1 Pages: 92-99

    • DOI

      10.1080/14686996.2020.1724824

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Novel Mg-ion conductive oxide of μ-cordierite Mg0.6Al1.2Si1.8O62020

    • Author(s)
      Takeda Hayami、Nakano Koki、Tanibata Naoto、Nakayama Masanobu
    • Journal Title

      Science and Technology of Advanced Materials

      Volume: 21 Issue: 1 Pages: 131-138

    • DOI

      10.1080/14686996.2020.1730237

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-Principles Density Functional Theory Calculations for Formic Acid Adsorption onto Hydro-Garnet Compounds2020

    • Author(s)
      Nakayama Masanobu、Ishida Kunihiro、Watanabe Kentaro、Tanibata Naoto、Takeda Hayami、Maeda Hirotaka、Kasuga Toshihiro
    • Journal Title

      ACS Omega

      Volume: 5 Issue: 8 Pages: 4083-4089

    • DOI

      10.1021/acsomega.9b03746

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Asymmetry in the Solvation?Desolvation Resistance for Li Metal Batteries2020

    • Author(s)
      Tanibata Naoto、Morimoto Riku、Nishikawa Kei、Takeda Hayami、Nakayama Masanobu
    • Journal Title

      Analytical Chemistry

      Volume: 92 Issue: 5 Pages: 3499-3502

    • DOI

      10.1021/acs.analchem.9b05321

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 全固体電池の開発におけるイオン伝導性セラミックスの材料探索2020

    • Author(s)
      中野 高毅, 中山 将伸
    • Journal Title

      分離技術

      Volume: 50 Pages: 11-17

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Measurement of nanoscale local stress distribution in phase-separated glass using scanning transmission electron microscopy-cathodoluminescence2020

    • Author(s)
      Yamada Taiki、Ohtsuka Masahiro、Takahashi Yoshimasa、Yoshino Haruhiko、Amma Shin-ichi、Muto Shunsuke
    • Journal Title

      Materialia

      Volume: 9 Pages: 100578-100578

    • DOI

      10.1016/j.mtla.2019.100578

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Possible high-potential ilmenite type Na_1MO_3 (M=V-Ni) cathodes realized by dominant oxygen redox reaction2020

    • Author(s)
      M. H. N. Assadi, Masashi Okubo, Atsuo Yamada, Yoshitaka Tateyama
    • Journal Title

      Physical Review Materials

      Volume: 4 Issue: 1 Pages: 015401-015401

    • DOI

      10.1103/physrevmaterials.4.015401

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Application of machine learning techniques to electron microscopic/spectroscopic image data analysis2020

    • Author(s)
      Shunsuke Muto, Motoki Shiga
    • Journal Title

      Microscopy

      Volume: 69 Issue: 2 Pages: 110-122

    • DOI

      10.1093/jmicro/dfz036

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme2019

    • Author(s)
      Gao Bo、Jalem Randy、Ma Yanming、Tateyama Yoshitaka
    • Journal Title

      Chemistry of Materials

      Volume: 32 Issue: 1 Pages: 85-96

    • DOI

      10.1021/acs.chemmater.9b02311

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Non-negative matrix factorization and its extensions for spectral image data analysis2019

    • Author(s)
      Motoki Shiga, Shunsuke Muto
    • Journal Title

      e-Journal of Surface Science and Nanotechnology

      Volume: 17 Issue: 0 Pages: 148-154

    • DOI

      10.1380/ejssnt.2019.148

    • NAID

      130007710083

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] STEM‐EELS analysis of the interface structures of composite ASS‐LIB electrodes fabricated via aerosol deposition2019

    • Author(s)
      Yamamoto Yuta、Iriyama Yasutoshi、Muto Shunsuke
    • Journal Title

      Journal of the American Ceramic Society

      Volume: 103 Issue: 2 Pages: 1454-1462

    • DOI

      10.1111/jace.16813

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] アモルファス硫化物電極活物質におけるアニオンレドックスと分相2024

    • Author(s)
      赤塚涼乃, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第62回セラミックス基礎科学討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Multi-objective virtual screening with structure prompting2024

    • Author(s)
      Duong-Nguyen NGUYEN, Minh-Quyet HA, Hiori KINO, Takahashi MIYAKE, Hieu-Chi DAM
    • Organizer
      Sanibel Symposium 2024, Florida, USA
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Elucidating Material Dynamics: Extracting Phenomena Insights through Virtual Observations2024

    • Author(s)
      Duc-Anh Dao, Tien-Sinh Vu, Yoshifumi Oshima, Masahiko Tomitori, Yukio Takahashi, Hieu-Chi Dam
    • Organizer
      Sanibel Symposium 2024, Florida, USA
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An evidential framework to measure similarities between materials with considering uncertainty for high-entropy alloy discovery2024

    • Author(s)
      Minh-Quyet Ha, Duong-Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      Sanibel Symposium 2024, Florida, USA
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Optimizing Geometric Shapes as Apertures in Single-Frame CDI: A Simulation-Based Analysis2024

    • Author(s)
      Adam Mukharil Bachtiar, Vu Tien-Sinh, Dam Hieu-Chi
    • Organizer
      Sanibel Symposium 2024, Florida, USA
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 次元削減法とそのスペクトル解析への応用2024

    • Author(s)
      武藤俊介, 志賀元紀
    • Organizer
      日本鉄鋼協会会員向けWeb講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] スペクトラムイメージデータの持つ情報の「形」を可視化する-次元削減から次元拡張へ-2024

    • Author(s)
      武藤俊介
    • Organizer
      JST CREST[情報計測]「データ駆動科学による高次元X線吸収計測の革新」最終報告会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] 金属負極-電解質界面の計算科学研究動向2023

    • Author(s)
      館山 佳尚
    • Organizer
      近化電池セミナー「金属負極二次電池の現状と展望」
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Unravelling the Fast Li-ion Conduction Mechanism in Li(FSA)(SN)2 Molecular Crystal: A Molecular Dynamics Study2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      2023 Japan-Taiwan Nano Material and Biomedicine Workshop
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 理論計算によるイオン伝導度研究の最新動向2023

    • Author(s)
      館山 佳尚
    • Organizer
      第24回超イオン導電体物性研究会(第84回固体イオニクス研究会)
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Advanced DFT-MD Study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Evaluation of Battery Positive-electrode Performance with Ab-inito Simultaneous Calculations of the Electronic and Ionic Conductivities2023

    • Author(s)
      Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Designing Novel Antiperovskite-type Solid Electrolytes for All-solid-state Batteries by High-throughput DFT and Machine Learning2023

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      IUMRS-ICAM & ICMAT 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Rechargeable Battery: An Ab-initio Study2023

    • Author(s)
      Wenchong Zhou, Chenchao Xu, Bo Gao, Masanobu Nakayama, Shunsuke Yagi, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-Principles Study on the Interplay of Strain and State-of-Charge with Li-ion Diffusion in Battery Cathode Material LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Descriptors Extracted from Discharge/Charge Capacity to Predict Battery Cycle Life by Machine Learning Methods2023

    • Author(s)
      Qianli Si, Shoichi Matsuda, Youhei Yamaji, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      74th Annual Meeting of the International Society of Electrochemistry
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 非平衡MD法による固体電解質のイオン相関を考慮したイオン伝導度計算の高速化2023

    • Author(s)
      佐々木遼馬、一杉太郎、館山佳尚
    • Organizer
      第17回分子科学討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 第一原理計算によるプルシアンブルー中の Li+, Na+, K+イオン拡散機構の比較2023

    • Author(s)
      伊藤暖、張成燻、安東秀峰、門間聰之、館山佳尚
    • Organizer
      第17回分子科学討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] イオン相関を考慮したイオン伝導度の計算高速化に向けた新規非平衡MD法の開発2023

    • Author(s)
      館山 佳尚、佐々木 遼馬、一杉 太郎
    • Organizer
      日本物理学会第78回年次大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] イオン性固溶体の安定サイト配置の効率的サンプリングに向けたアルゴリズム開発2023

    • Author(s)
      張 成燻、ハレム ランディ、館山 佳尚
    • Organizer
      日本物理学会第78回年次大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 電池内の電子・イオン移動に関する計算科学2023

    • Author(s)
      館山 佳尚
    • Organizer
      第84回応用物理学会秋季学術講演会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Advanced MD Study on Ion Transport in Battery Solid Electrolyte2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Structure and Dynamics of Chemical and Biomolecular Systems (SDCBS23)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Interface Chemistry and Ion Transport in Batteries Revealed by Advanced First-Principles Calculations2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Japanese-German Joint Seminar on Sustainable Batteries
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] First Principles Study on the Interplay of Strain and State of Charge with Li Diffusion in Lithium Cobalt Oxide Cathode Material2023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla Silva, Huu Duc Luong, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第49回固体イオニクス討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities2023

    • Author(s)
      Huu Duc Luong, Chenchao Xu, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第49回固体イオニクス討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] プルシアンブルー中のLi+, Na+, K+ 拡散機構の第一原理計算による比較2023

    • Author(s)
      伊藤暖、張成燻、安東秀峰、門間聰之、館山佳尚
    • Organizer
      第49回固体イオニクス討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 第一原理計算による高エネルギー密度有機正極活動質の探索と解析2023

    • Author(s)
      館山 佳尚、加賀爪 明子、八尾 勝、松田 翔一、魚崎 浩平
    • Organizer
      第64回電池討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Features from discharge/charge and relaxation to predict battery cycle life by machine learning2023

    • Author(s)
      Qianli Si, Shoichi Matsuda, Youhei Yamaji, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第64回電池討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] First-principles study on the interplay of strain and state-of-charge with Li-ion diffusion in the LiCoO22023

    • Author(s)
      Zizhen Zhou, Claudio Cazorla, Duc Huu Luong, Bo Gao, Toshiyuki Momma, Yoshitaka Tateyama
    • Organizer
      第64回電池討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Theoretical study on the stability and synthesis of anion-substituted antiperovskite electrolytes2023

    • Author(s)
      Randy Jalem
    • Organizer
      第64回電池討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] MIによる未知材料探索-蓄電池セラミックス研究を例として2023

    • Author(s)
      中山 将伸
    • Organizer
      令和5年度日本接着学会中部支部講演会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Computational Studies on Electrode/Electrolyte Interface in Battery2023

    • Author(s)
      Masanobu Nakayama
    • Organizer
      International Conference on Surface Engineering (ICSE2023)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 計算科学・インフォマティクスの未来展望2023

    • Author(s)
      中山 将伸
    • Organizer
      第63回 電気化学セミナー 蓄電池の未来 ー学術・技術・人材育成の展望ー
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] ニューラルネットワーク力場を活用した蓄電池研究2023

    • Author(s)
      中山 将伸
    • Organizer
      第59回 熱測定討論会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Application of LSTM machine learning to battery emulators2023

    • Author(s)
      Kanato Oka, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      Advanced Materials Research GRAND MEETING MRM2023 IUMRS-ICA2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 固体電解質材料リン酸タンタルリチウムの合成条件最適化2023

    • Author(s)
      柴﨑未妃, 村上健斗, 武田はやみ, 谷端直人, 中山将伸
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 分子動力学シミュレーションを用いたリチウムイオン電池正極/電解液の界面反応解析2023

    • Author(s)
      堀部元貴, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第49回固体イオニクス討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Materials Optimization Using Grey Box Function2023

    • Author(s)
      Masato Hamaie, Yudai Yamaguchi, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      The 37th International Korea-Japan Seminar on Ceramics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] SEM画像と畳み込みニューラルネットワークを用いたLiイオン伝導体の物性予測2023

    • Author(s)
      村上健斗, 山口雄大, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      日本セラミックス協会第36回秋季シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] 実験とベイズ最適化を併用したLi過剰NASICON型固体電解質の合成プロセスの探索2023

    • Author(s)
      武田はやみ, 福田紘子, 中野高毅, 橋村祥吾, 谷端直人, 中山将伸, 大野康晴, 名取孝章
    • Organizer
      日本セラミックス協会第36回秋季シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] オートエンコーダーによる未知物質の探索手法の開発2023

    • Author(s)
      橋村祥吾, 山口雄大, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      化学電池材料研究会 第49回講演会夏の学校
    • Related Report
      2023 Annual Research Report
  • [Presentation] ベイズ最適化によるNASICON型Liイオン伝導体の組成および実験プロセスの最適化2023

    • Author(s)
      村上健斗, 福田紘子, 谷端直人, 武田はやみ, 中山将伸, 大野康晴, 斎藤直彦, 名取孝章
    • Organizer
      化学電池材料研究会 第49回講演会夏の学校
    • Related Report
      2023 Annual Research Report
  • [Presentation] 応力場・電気化学反応場連成解析による全固体電池電極層の構造設計2023

    • Author(s)
      井上 元
    • Organizer
      第 60 回日本伝熱シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] 電池分野における計算科学の貢献2023

    • Author(s)
      井上 元
    • Organizer
      第60回化学関連支部合同九州大会
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] P膨張収縮を考慮した全固体電池の内部空隙の形成機構とその影響2023

    • Author(s)
      江藤 佑樹,So Magnus,森 雄輝,矢野 振一郎,井上 元
    • Organizer
      化学工学会第54回秋季大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Si Anode Expansion and its Performance Implications in All-Solid-State Batteries: A Modeling Approach2023

    • Author(s)
      So Magnus,Permatasari Agnesia,Yano Shinichiro,Saito Yuki,)Mori Yuk,Inoue Gen
    • Organizer
      化学工学会第54回秋季大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Understanding the Effect of Mechanical Degradation on the Performance of Solid-State Batteries through Particle Simulations2023

    • Author(s)
      Magnus So, A. Permatasari, S. Yano, Y. Saito, Y. Mori, and G. Inoue
    • Organizer
      242nd ECS meeting
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Computer Simulation Technology for Design of Electrode Structure2023

    • Author(s)
      井上 元
    • Organizer
      2023 ICGET-TW
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Internal crack formation mechanism and its effect on all solid-state batteries considering expansion and contraction2023

    • Author(s)
      江藤 佑樹, So Magnus, Yuki Mori, Shinichiro Yano and Gen Inoue
    • Organizer
      ISChE 2023
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 蓄電デバイスの各種課題と研究動向2023

    • Author(s)
      井上 元
    • Organizer
      第2回化学工学会エネルギー部会シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] Query-and-learn Based Active Learning Framework for Screening New SmFe12 Structures2023

    • Author(s)
      Duong-Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      International Conference on Materials for Advanced Technologies (ICMAT) 2023, Singapore
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A Framework to Investigate Motion Behaviors of Particles in Heterogeneous Media2023

    • Author(s)
      Duc-Anh Dao, Shuntaro Takazawa, Masaki Abe, Hideshi Uematsu, Nozomu Ishiguro, Taiki Hoshino, Yukio Takahashi, Hieu-Chi Dam
    • Organizer
      International Conference on Materials for Advanced Technologies (ICMAT) 2023, Singapore
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An application of evidence theory revealing similarities between materials with respect to physical properties2023

    • Author(s)
      Minh-Quyet Ha, Duong-Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      International Conference on Materials for Advanced Technologies (ICMAT) 2023, Singapore
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Deep Learning Reveals Where to Pay Attention to for Specific Materials’ Properties2023

    • Author(s)
      Tien-Sinh Vu, Minh-Quyet Ha, Duong Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      International Conference on Materials for Advanced Technologies (ICMAT) 2023, Singapore
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Towards Intuitively Interpretable AI in Materials Discovery: A Data-Driven Framework Emphasizing Material Similarity2023

    • Author(s)
      Hieu-Chi Dam
    • Organizer
      MRM2023/IUMRS-ICA2023, Kyoto, Japan
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine learning-aided Genetic Algorithm in investigating structure-stability relationship of SmFe12 based structures2023

    • Author(s)
      Duong-Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      MRM2023/IUMRS-ICA2023, Kyoto, Japan
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A Framework to Investigate Motion Behaviors of Particles in Heterogeneous Media2023

    • Author(s)
      Duc-Anh Dao, Hieu-Chi Dam
    • Organizer
      MRM2023/IUMRS-ICA2023, Kyoto, Japan
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] An evidence-based framework to measure similarity between materials with considering uncertainty for discovering novel materials2023

    • Author(s)
      Minh-Quyet Ha, Duong-Nguyen Nguyen, Hieu-Chi Dam
    • Organizer
      MRM2023/IUMRS-ICA2023, Kyoto, Japan
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Deep learning for phase retrieval from virtual experiments in coherent X-ray diffraction imaging2023

    • Author(s)
      Tien-Sinh Vu, Shuntaro Takazawa, Yukio Takahashi, Hieu-Chi Dam
    • Organizer
      MRM2023/IUMRS-ICA2023, Kyoto, Japan
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Sparse modelling of extended energy-loss fine structure as a tool for probing nanometric local structure2023

    • Author(s)
      K. Ofuji, S. Komai, K. Nakatani, M. Ohtsuka, S. Muto
    • Organizer
      The 20th International Microscopy Congress (IMC20)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Automating ALCHEMI at the nano-scale using software control2023

    • Author(s)
      A. Ishizuka, M. Ohtsuka, S. Muto
    • Organizer
      The 20th International Microscopy Congress (IMC20)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Seeking True Collaboration between Electron Microscopy and X-ray Spectroscopy by Materials Informatics2023

    • Author(s)
      S. Muto
    • Organizer
      Mini-Symposium on Innovative Visualization for Materials Science
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] ナノ電子プローブのソフトウェア制御による高角度分解電子チャネリング分光法の高度化2023

    • Author(s)
      石塚顕在, 武藤俊介, 大塚真弘
    • Organizer
      日本顕微鏡学会第79回学術講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] STEM-EELSによるLi1+0.5x(Cr1-1.5xMnx)O2系正 極材料の解析2023

    • Author(s)
      名波拓馬, 喜多條鮎子, 廣井慧, 尾原幸治, 池田一貴, 武藤俊介
    • Organizer
      日本顕微鏡学会第79回学術講演会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 微細化Li1.2Cr0.4Mn0.4O2の熱処理による結晶子サイズ変化がLiイオン電池特性に与える影響2023

    • Author(s)
      喜多條鮎子, 松田奨平, 武藤俊介
    • Organizer
      第64回電池討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 第一原理MD を用いた蓄電池のイオン伝導計算手法の開発と応用2023

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第3回公開シンポジウム(成果報告会)
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] DFT-based studies on “battery” issues2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      EU-Japan Workshop on High-Performance Computing
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Advanced DFT-MD study on Ion Transport in Solid Electrolyte: Grain Boundary and Ion Correlation2023

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Japan-US Joint Seminar on Fundamentals of Next Generation Batteries
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 酸化物固体電解質粒界における界面イオン伝導に関する第一原理MD解析2023

    • Author(s)
      館山 佳尚、GAO Bo、JALEM Randy
    • Organizer
      日本化学会第103春季年会併設シンポジウム 全固体電池のプロセスサイエンス 第2回シンポジウム
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 酸化物固体電解質圧粉体の導電率特性2023

    • Author(s)
      武田はやみ, 谷端直人, 中山将伸, 久世智, 田中秀央, 島野哲
    • Organizer
      第61回セラミックス基礎科学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による金属Liとガーネット型固体電解質材料の固固界面評価2023

    • Author(s)
      岩崎梨音, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第61回セラミックス基礎科学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 実験とベイズ最適化を併用したLi過剰NASICON型固体電解質の最適組成探索2023

    • Author(s)
      福田紘子, 草川隼也, 中野高毅, 谷端直人, 武田はやみ, 中山将伸, 烏山昌幸, 竹内一郎, 名取孝章, 大野康晴
    • Organizer
      第61回セラミックス基礎科学討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 全固体電池の動的構造変形と面内反応分布の相関解析2023

    • Author(s)
      江藤 佑樹,森 雄輝,井上 元
    • Organizer
      第25回化学工学会学生発表会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Li1+0.5x(Cr1-1.5xMnx)O2(x = 0 - 0.4)系正極材料のS/TEM分析2023

    • Author(s)
      武藤俊介,喜多條鮎子
    • Organizer
      新学術領域研究「蓄電固体界面科学」第8回領域会議
    • Related Report
      2022 Annual Research Report
  • [Presentation] スパースモデリングによるEXELFS解析とその結晶ガラス構造解析へ応用2023

    • Author(s)
      大藤久遠、武藤俊介
    • Organizer
      新学術領域研究「蓄電固体界面科学」第8回領域会議
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による蓄電池界面現象の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      電気化学会電池技術委員会 新電池構想部会第116回講演会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Standard Electrochemical Potential Analysis Based on DFT Interface Calculation: Microscopic Electrochemistry Framework2022

    • Author(s)
      Yoshitaka Tateyama, Bo Gao
    • Organizer
      31st Topical Meeting of the ISE: Theory and Computation in Electrochemistry
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Electron and Ion Transfer at Solid-Solid Interface: DFT-based Electrochemistry with Explicit Interface Model2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IMLB 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Ioon and Electron Transfer at Solid-Solid Interface: DFT Calculation Study with Explicit Interface Model2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      23rd International Conference on Solid State Ionics (SSI-23)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] イオン伝導度の粒子系理論計算の最先端2022

    • Author(s)
      館山佳尚
    • Organizer
      第16回固体イオニクスセミナー
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Tuning the Electronic, Ion Transport and Stability Properties of Li-rich Manganese Based Oxides Cathode with Oxide Perovskite Coating2022

    • Author(s)
      Z. Zhou, D. Chu, B. Gao, T. Momma, Y. Tateyama, C. Cazorla
    • Organizer
      Psi-k 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Electronic and ionic transports of layered oxide cathodes for lithium-ion batteries2022

    • Author(s)
      Luong Huu Duc, Yoshitaka Tateyama
    • Organizer
      Psi-k 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of Na-ion sulfide solid electrolyte with high ion conductivity by using a multi-stage high-throughput screening technique2022

    • Author(s)
      Seong-Hoon Jang, Yoshitaka Tateyama, Randy Jalem
    • Organizer
      Psi-k 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] DFT based ion transfer across interface in battery and microscopic electrochemistry concept2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Psi-k 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 新学術領域研究「蓄電固体界面科学」 A03 理論・計算・データ科学研究2022

    • Author(s)
      館山佳尚
    • Organizer
      蓄電固体界面科学第4回公開シンポジウム
    • Related Report
      2022 Annual Research Report
  • [Presentation] Battery Electrolyte Exploration via Machine Learning Techniques Coupled with High-Throughput DFT Calculations2022

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      73rd Annual Meeting of the International Society of Electrochemistry (73rd ISE)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算による全固体電池固体電解質のイオン伝導解析2022

    • Author(s)
      館山佳尚
    • Organizer
      第83回応用物理学会秋季学術講演会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] カーボンニュートラル社会の実現に向けた電池材料の最先端計算・データ科学と「富岳」の活用2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ・ソリューションセミナー2022秋
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] スパコンがもたらす蓄電池現象の新たな理解2022

    • Author(s)
      館山佳尚
    • Organizer
      第8回大型実験施設とスーパーコンピューターとの連携シンポジウム
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] ガーネット型固体電解質材料の粒界イオン伝導とそのドーパント効果に関する第一原理MD解析2022

    • Author(s)
      館山佳尚、高博、ハレム ランディ
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 非平衡分子動力学法による固体電解質のイオン-イオン相関を考慮したイオン伝導度計算の高速化2022

    • Author(s)
      佐々木遼馬、高博、一杉太郎、館山佳尚
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 多段階ハイスループット計算による高イオン伝導度を持つナトリウム系硫化物固体電解質の予測2022

    • Author(s)
      張成燻、館山佳尚、JALEM Randy
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Li過剰マンガン酸化物正極-ペロブスカイト酸化物コート層界面の安定性・イオン物性に関する第一原理計算解析2022

    • Author(s)
      周子臻、Cazorla Claudio, 高博、門間聰之、館山佳尚
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 62m水系カリウム濃厚電解液のイオン拡散に関する第一原理MD解析2022

    • Author(s)
      小泉健一、館山佳尚
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 多段階ハイスループット計算によるナトリウム系硫化物固体電解質の物質設計2022

    • Author(s)
      JANG Seong-Hoon, 館山佳尚, JALEM Randy
    • Organizer
      第48回固体イオニクス討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理MD計算によるガーネット型固体電解質材料の粒界Liイオン伝導とそのドーパント効果2022

    • Author(s)
      館山佳尚、高博、JALEM Randy
    • Organizer
      第48回固体イオニクス討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算2022

    • Author(s)
      館山佳尚
    • Organizer
      電気化学会関東支部第50回先端科学セミナー 電気化学のための計算化学入門
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] High deformability and fast lithium diffusivity in metastable spinel chloride for rechargeable all-solid state lithium ion batteries2022

    • Author(s)
      Naoto Tanibata, Masashi Kato, Shuta Takimoto, Hayami Takeda, Masanobu Nakayama, Hirofumi Sumi
    • Organizer
      17th Asian Conference on Solid State Ionics (ACSSI-1)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Exhaustive Search for Chloride Li-Ion Conductors Using High-Throughput Force Field Molecular Dynamics Calculations2022

    • Author(s)
      Shin Aizu, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Ryo Kobayashi
    • Organizer
      17th Asian Conference on Solid State Ionics (ACSSI-17)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Drawing a materials map with autoencoder for Li conductive fluorides2022

    • Author(s)
      Yudai Yamaguchi, Risa Yasuda, Taruto Atsumi, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      17th Asian Conference on Solid State Ionics (ACSSI-17)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Compositional optimization of NASICON-type solid electrolyte using Bayesian optimization-guided experiments2022

    • Author(s)
      Hiroko Fukuda, Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Takaaki Natori, Yasuharu Ono
    • Organizer
      17th Asian Conference on Solid State Ionics (ACSSI-17)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 材料計算によるリチウムイオン導電性セラミックスの解析と設計2022

    • Author(s)
      中山将伸
    • Organizer
      第42回電子材料研究討論会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 汎用的な記述子の開発と大規模材料インフォマティクス2022

    • Author(s)
      中山将伸
    • Organizer
      日本セラミックス協会関西支部2022年度 第24回若手フォーラム
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 固体内酸素レドックス反応を利用したリチウムイオン電池と第一原理計算2022

    • Author(s)
      中山将伸
    • Organizer
      第8回 大型実験施設とスーパーコンピュータとの連携シンポジウム
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Computational and informatics studies on NASICON-type Li ion conductor2022

    • Author(s)
      M. Nakayama
    • Organizer
      Bunsen Colloquium New Horizons in Solid State Ionics on the occasion of the 68th birthday of Manfred Martin
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Computational studies on Li metal/garnet-type Li7La3Zr2O12 interface2022

    • Author(s)
      M. Nakayama, R. Iwasaki, N. Tanibata, H. Takeda
    • Organizer
      17th Asian Conference on Solid State Ionics (ACSSI-17)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 高速力場計算を用いたLiイオン導電性材料の評価と探索2022

    • Author(s)
      中山将伸
    • Organizer
      第116回 新電池構想部会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] データサイエンスを利用した全固体電池材料の効率的探索2022

    • Author(s)
      中山将伸
    • Organizer
      光触媒第8 7 回講演会「 データサイエンス 」
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Optimization of NASICON-type solid electrolyte composition using both experiments and bayes optimization2022

    • Author(s)
      Hiroko Fukuda, Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Takaaki Natori, Yasuharu Ono
    • Organizer
      Bunsen Colloquium New Horizons in Solid State Ionics on the occasion of the 68th birthday of Manfred Martin
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Drawing a materials map with an autoencoder for all-solid state Li-ion batteris2022

    • Author(s)
      Yudai Yamaguchi, Risa Yasuda, Taruto Atsumi, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      Bunsen Colloquium New Horizons in Solid State Ionics on the occasion of the 68th birthday of Manfred Martin
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 高Li拡散性かつ高変形能を有する塩化物材料のシミュレーション探索と実験的評価2022

    • Author(s)
      相津新, 谷端直人, 武田はやみ, 中山将伸, 小林亮
    • Organizer
      日本セラミックス協会第35回秋季シンポジウム
    • Related Report
      2022 Annual Research Report
  • [Presentation] 深層学習を用いたLiイオン伝導体材料の物性予測2022

    • Author(s)
      山口雄大, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第32回日本MRS年次大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 固体電解質材料の機械学習による最適化手法の開発2022

    • Author(s)
      濱家雅人, 山口雄大, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第32回日本MRS年次大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 全固体Na電池のための超Naイオン伝導体Na10Sn4の評価2022

    • Author(s)
      谷端直人, 松ノ下広騎, 竹内寛和, 赤塚涼乃, 武田はやみ, 中山将伸
    • Organizer
      第48回固体イオニクス討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] リチウムイオン電池正極における充電時酸素ガス生成反応の材料シミュレーション2022

    • Author(s)
      堀部元貴, 野中直貴, 岩崎梨音, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ベイズ最適化によるNASICON型Liイオン伝導体の組成および実験プロセスの最適化2022

    • Author(s)
      村上健斗, 福田紘子, 谷端直人, 武田はやみ, 中山将伸, 大野康晴, 斎藤直彦, 名取孝章
    • Organizer
      第32回日本MRS年次大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ハイスループット計算によるフッ化物イオン導電性セラミックスの探索2022

    • Author(s)
      小山翼, 宮路康裕, 近藤諒, 谷端直人, 武田はやみ, 中山将伸, 井手一人, 山崎久嗣
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ハイスループット力場を用いたナトリウムイオン伝導性塩化物材料の網羅的探索とイオン伝導性評価2022

    • Author(s)
      野中直貴, 相津新, 谷端直人, 武田はやみ, 中山将伸, 小林亮
    • Organizer
      第23回化学電池材料研究会ミーティング
    • Related Report
      2022 Annual Research Report
  • [Presentation] インフォマティクスによるMn-Ni-Co系酸化物サーミスタ材料の組成最適化2022

    • Author(s)
      橋村祥吾, 山口雄大, 谷端直人, 武田はやみ, 中山将伸, 新関尚宏, 中谷孝之
    • Organizer
      第32回日本MRS年次大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] アモルファス化によるアニオンレドックスの高速化と高容量ナトリウムイオン電池2022

    • Author(s)
      谷端直人, 近藤冴香, 武田はやみ, 中山将伸
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Stress and Electrochemical Reaction Prediction of the Particle Structure of All-Solid-State Batteries By Numerical Simulation and Machine Learning2022

    • Author(s)
      Chiyori Komori,Yuki Mori,Shinichiro Yano,Magnus So and Gen Inoue
    • Organizer
      242nd ECS meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Simulation of intercalation induced expansion and fragmentation in all-solid state battery anodes2022

    • Author(s)
      Magnus So, Shinichiro Yano, Agnesia Permatasari, Thi Dung Pham, Gen Inoue
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 全固体電池のDEMによる応力分布解析とネットワークモデルによる輸送解析の連成2022

    • Author(s)
      井上 元,矢野 振一郎,宗 マグヌス
    • Organizer
      第63回電池討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 全固体電池電極の数値シミュレーション2022

    • Author(s)
      井上 元
    • Organizer
      大阪公立大学全固体電池実用化研究会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] STEM-EELS吸収端広域微細構造のスパースモデリングによるD-W因子マッピング2022

    • Author(s)
      武藤俊介, 駒井心一, 大塚真弘
    • Organizer
      日本顕微鏡学会第78回学術講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Nexialismと計測インフォマティクス-異分野を繋ぐ橋2022

    • Author(s)
      武藤俊介
    • Organizer
      第7回IMaSS交流会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] STEM-EELS と電子回折による水系ナトリウムイオン電池 負極材料の解析2022

    • Author(s)
      名波拓馬,喜多條鮎子, 岡田昌樹, 小林歩, 武藤俊介
    • Organizer
      日本金属学会2022年秋期第171回講演大会,
    • Related Report
      2022 Annual Research Report
  • [Presentation] 「京」・「富岳」を用いた蓄電池内現象の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      「第5回元素戦略シンポジウム」革新的マテリアルでカーボンニュートラルな社会を構築
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 理論計算による全固体電池の電子・イオン移動の可視化2022

    • Author(s)
      館山佳尚
    • Organizer
      近畿化学協会コンピュータ化学会 第112回例会 公開講演会「電池材料と計算化学」
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 「富岳」「京」を用いた蓄電池内現象の可視化2022

    • Author(s)
      館山佳尚
    • Organizer
      第50回産応協セミナー 計算科学の発展と展望:京・富岳の活用事例を通して
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 「富岳」「京」を用いた蓄電池内イオン・電子移動の見える化2022

    • Author(s)
      館山佳尚
    • Organizer
      第23回GREENシンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] 「富岳」電池課題全体概要2022

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第2回公開シンポジウム(成果報告会)
    • Related Report
      2021 Annual Research Report
  • [Presentation] 全固体電池材料のイオン輸送機構に関する計算予測2022

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」電池課題 第2回公開シンポジウム(成果報告会)
    • Related Report
      2021 Annual Research Report
  • [Presentation] 「富岳」電池課題の概要2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「富岳」成果創出加速プログラムシンポジウム富岳百景 研究交流会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 次世代EV開発に向けたバッテリーマテリアル研究on「富岳」2022

    • Author(s)
      館山佳尚
    • Organizer
      スーパーコンピュータ「富岳」成果創出加速プログラムシンポジウム富岳百景 公開シンポジウム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 材料データから材料の物性を理解するための証拠へ2022

    • Author(s)
      DAM Hieu-Chi
    • Organizer
      日本化学会 第102春季大会 (2022) ・ イノベーション共創プログラム(CIP)・ マテリアルズ・インフォマティクスの表面・界面系への拡張
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 計測インフォマティクスの誘惑とその功罪・私的展望2022

    • Author(s)
      武藤俊介
    • Organizer
      CREST-さきがけ複合領域「情報計測」令和3年度 材料分野における情報計測クラスタ会議
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 蓄電池がもたらすグリーン社会2021

    • Author(s)
      館山佳尚
    • Organizer
      応用物理学会 第155回 結晶工学分科会研究会 カーボンニュートラルに結晶工学が果たす役割- 地球温暖化問題の現状と解決に向けた最前線
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Microscopic Electrochemistry of Ion Transport at Heterogeneous Solid-Solid Interface in Li-Ion Battery2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      IUMRS-ICA2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT study on interfaces in solid state battery via direct interface models2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      3rd WORLD CONFERENCE ON SOLID ELECTROLYTES FOR ADVANCED APPLICATIONS: GARNETS AND COMPETITORS
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Ion and Electron Transfer at Interfaces in Solid-state Batteries Via First-principles Calculations2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      International Battery Association 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 電解質界面・電解質探索に関する計算・データ科学研究動向2021

    • Author(s)
      館山佳尚
    • Organizer
      日本化学会 第15回技術開発フォーラム:全固体電池の最新動向
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] DFT approaches to electron and ion transfer in battery & DFT-based studies on battery issues2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      EU-Japan workshop on HPC-based material sciences
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 触媒・蓄電池内の金属酸化物表面・界面過程の微視的理論2021

    • Author(s)
      館山佳尚
    • Organizer
      第141回フロンティア材料研究所学術講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 「富岳」電池課題概要 &全固体電池の材料課題解決への取組み2021

    • Author(s)
      館山佳尚
    • Organizer
      「富岳」成果創出加速プログラム 物質・材料系課題合同研究会プログラム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] First-principles MD simulations of reduction/oxidation reactions in electrolyte solutions2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Pacifichem 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT-Based Computational Design Of Inverse Ruddlesden-Popper-Type Solid Electrolytes For All-Solid-State Lithium Ion Battery Application2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      IUMRS-ICA2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Surface-Dependent Stability of Interface between Garnet Li7La3Zr2O12 and Li Metal in the All-Solid-State Battery: A First-Principles Study2021

    • Author(s)
      Bo Gao
    • Organizer
      3rd WORLD CONFERENCE ON SOLID ELECTROLYTES FOR ADVANCED APPLICATIONS: GARNETS AND COMPETITORS
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Computational Exploration of Inverse Ruddlesden-Popper-Type Solid Electrolytes for All-Solid-State Lithium Ion Batteries by First-Principles DFT Calculations2021

    • Author(s)
      Randy Jalem
    • Organizer
      3rd WORLD CONFERENCE ON SOLID ELECTROLYTES FOR ADVANCED APPLICATIONS: GARNETS AND COMPETITORS
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-Principles DFT-based Computational Design of Novel Solid Electrolytes with Inverse Ruddlesden-Popper Tetragonal Structure for All-Solid-State Batteries2021

    • Author(s)
      ハレム ランディ、館山佳尚、高田和典、中山将伸
    • Organizer
      第62回電池討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Revealing the Microscopic Electrochemistry at the Cathode/Coating/Solid Electrolyte Interfaces via the First-Principles Structure Prediction Scheme2021

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第62回電池討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 分子動力学法による Li{N(SO2F)2}(NCCH2CH2CN)2有機結晶電解質の高速リチウムイオン伝導機構の解明2021

    • Author(s)
      佐々木遼馬、守谷誠、渡邊佑紀、西尾和記、一杉太郎、館山佳尚
    • Organizer
      第62回電池討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Exploration of Li-Rich Inorganic Compounds with Inverse Ruddlesden-Popper-Type Structure by First-Principles DFT Calculations for Solid Electrolyte Application in All-Solid-State Batteries2021

    • Author(s)
      Randy Jalem, Yoshitaka Tateyama, Kazunori Takada, Masanobu Nakayama
    • Organizer
      2021 MRS Fall Meeting & Exhibit
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Combining density functional theory approaches and Bayesian optimization for the large-scale efficient search of novel all-solid-state battery electrolytes2021

    • Author(s)
      Randy Jalem
    • Organizer
      Pacifichem 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 全固体電池材料探索のための材料インフォマティクス2021

    • Author(s)
      中山 将伸
    • Organizer
      日本セラミックス協会関西支部 2021 年度支部セミナー
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] NASICON型Liイオン導電性酸化物の安定性、イオン伝導、界面イオン交換2021

    • Author(s)
      中山 将伸
    • Organizer
      第182回電子セラミック・プロセス研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Liイオン導電性 NASICON型材料の固固界面構造と材料計算2021

    • Author(s)
      中山 将伸
    • Organizer
      第1回計算イオニクス研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Highly deformable Chloride Electrolyte for Rechargeable All-Solid-State Lithium Metal Batteries2021

    • Author(s)
      Naoto Tanibata, Syuta Takimoto, Koki Nakano, Hayami Takeda, Masanobu Nakayama, Hiroshi Sumi
    • Organizer
      Materials Research Meeting 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Composition optimization of NASICON type solid electrolyte using both experiments and Bayesian optimization.2021

    • Author(s)
      Hiroko Fukuda, Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Yasuharu Ono
    • Organizer
      Materials Research Meeting 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Machine Learning Prediction of Li Ion Migration Performance Using Compositional Descriptors2021

    • Author(s)
      Risa Yasuda, Taruto Atsumi, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      Materials Research Meeting 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 実験とベイズ最適化法を併用した固体電解質の最適組成探索2021

    • Author(s)
      武田はやみ,原田真帆,楊 子健,中野高毅,谷端直人,中山将伸
    • Organizer
      第31回日本MRS年次大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 分子動力学法と機械学習を用いたNASICON型リチウムイオン伝導体LiZr2(PO4)3の粒界シミュレーション2021

    • Author(s)
      中野高毅、谷端直人、武田はやみ、小林亮、中山将伸
    • Organizer
      第31回日本MRS年次大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ハイスループット力場を用いた高リチウムイオン伝導性塩化物材料の探索2021

    • Author(s)
      相津新、野中直貴、瀧本秀太、中野高毅、谷端直人、武田はやみ、中山将伸、小林亮
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Naイオン電池Na-Sn合金系負極材料におけるNaイオン拡散能2021

    • Author(s)
      赤塚涼乃・松ノ下広騎・竹内寛和、谷端直人、武田はやみ、中山将伸
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 高変形能を有するLi2FeCl4のメカノケミカル合成とリチウムイオン伝導性評価2021

    • Author(s)
      谷端直人、加藤雅士、瀧本秀太、中野高毅、武田はやみ、中山将伸、鷲見 裕史
    • Organizer
      2021年電気化学秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 実験とベイズ最適化を併用したNASICON型固体電解質の最適組成探索2021

    • Author(s)
      福田紘子、中野高毅、谷端直人、武田はやみ、中山将伸、大野康晴
    • Organizer
      日本セラミックス協会第34回秋季シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] ハイスループット力場を用いた新規Li-S系固体電解質材料の探索2021

    • Author(s)
      近藤 諒、宮路 康裕、中野 弘毅、谷端 直人、武田 はやみ、中山 将伸、小林 亮
    • Organizer
      日本セラミックス協会第34回秋季シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] 機械学習の最前線:電気化学デバイス材料微構造設計のための機械学習2021

    • Author(s)
      井上 元
    • Organizer
      2021 年度 SOFC 研究会総会 及び第 119 回 SOFC 研究会 (Web 講演会)
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 実電極層内特性評価と構造設計のための計算技術開発2021

    • Author(s)
      井上 元
    • Organizer
      日本化学会第101回春季年会(2021)
    • Related Report
      2021 Annual Research Report 2020 Annual Research Report
    • Invited
  • [Presentation] Evaluation and optimization of heterogeneous electrode structure in secondary batteries and fuel cells by numerical analysis and direct observation2021

    • Author(s)
      井上 元
    • Organizer
      第2回SNU-KYUSHU JOINT SYMPOSIUM
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 数値シミュレーションによる全固体電池電極の動的構造変形と電池特性解析2021

    • Author(s)
      井上 元
    • Organizer
      第82回応用物理学会秋季学術講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 数値シミュレーションと機械学習による粒子構造の応力推算2021

    • Author(s)
      小森 千有里, 石川 翔太, 布下 敬太, 宗 マグナス, 木村 直樹, 井上 元, 柘植 義文
    • Organizer
      化学工学会第52回秋季大会電池シンポジウム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] リチウム電池、燃料電池の電極設計のためのシミュレーション技術2021

    • Author(s)
      井上 元
    • Organizer
      2021年度第31回高分子学会東海支部東海ミニシンポジウム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 計算技術によるリチウムイオン電池電極層の特性評価と構造設計2021

    • Author(s)
      井上 元
    • Organizer
      神奈川大学新型電池オープンラボ講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Learning similarities between materials from data2021

    • Author(s)
      DAM Hieu-Chi
    • Organizer
      Materials Research Meeting 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Elucidating atomic-scale phenomena with transmission electron microscopy: a study of gold nanocontact2021

    • Author(s)
      DAO Duc-Anh, Vu Tien-Sinh, Nguyen Duong-Nguyen, Keisuke Ishizuka, Yoshifumi Oshima, Masahiko Tomitori, DAM Hieu-Chi
    • Organizer
      2021 IUPAP Conference on Computational Physics
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Deep attention model for extracting material structure-property relationships2021

    • Author(s)
      VU Tien-Sinh, DAM Hieu-Chi
    • Organizer
      2021 IUPAP Conference on Computational Physics
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Application of evidence theory to recommend solvent mixtures for chemical exfoliation of graphite2021

    • Author(s)
      HA Minh-Quyet, DAM Hieu-Chi
    • Organizer
      2021 IUPAP Conference on Computational Physics
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Statistical Machine Learning approaches for Noisy Spectral Imaging Data2021

    • Author(s)
      M. Shiga, S. Muto
    • Organizer
      The 9th International Symposium on Surface Science
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 炭酸ナトリウム過剰添加によって合成したNaTi2(PO4)3負極の水系Naイオン電池特性2021

    • Author(s)
      喜多條鮎子, 山下真歩, 岡田昌樹, 小林渉, 武藤俊介
    • Organizer
      第62回電池討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 高エネルギー電子プローブを用いたナノ物性計測法の開発と磁性材料への応用2021

    • Author(s)
      武藤俊介, 大塚真弘
    • Organizer
      日本金属学会2021年秋期第169回講演大会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] ポリマーブレンドのナノスケール化学イメージング2021

    • Author(s)
      武藤俊介, 梅本大樹, 荒井重勇, 菊間淳, 乙部博英
    • Organizer
      第70回高分子討論会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 分光スペクトル解析のための統計的機械学習2021

    • Author(s)
      志賀元紀, 武藤俊介
    • Organizer
      日本顕微鏡学会第77回学術講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 全固LIB電解質/正極界面相のSTEM-EELS ハイパースペクトラムイメージ解析2021

    • Author(s)
      武藤俊介, 山本悠太, 館山佳尚, 入山恭寿
    • Organizer
      日本顕微鏡学会第77回学術講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] スパースモデリングによるEXELFS解析2021

    • Author(s)
      駒井心一, 武藤俊介, 大塚真弘
    • Organizer
      日本顕微鏡学会第77回学術講演会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 蓄電池材料インフォマティクス2021

    • Author(s)
      中山 将伸
    • Organizer
      日本セラミックス協会 2021年年会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算を用いた無秩序岩塩型酸化物における固体内酸素レドックス反応解析2021

    • Author(s)
      中山 将伸
    • Organizer
      日本化学会第101回春季年会 併催シンポジウム 新学術領域研究「蓄電固体界面科学」成果報告会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 全固体電池におけるLATP/LCO界面で何が起こっているか-断面STEM-EELS解析でここまでわかる-2021

    • Author(s)
      武藤俊介
    • Organizer
      日本化学会第101回春季年会 併催シンポジウム 新学術領域研究「蓄電固体界面科学」成果報告会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] DFT calculation study on Li metal / LLZO electrolyte interfaces: stability and ion transport2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      Interface IONICS online symposium 2021 Spring
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT-based understanding of ion transfer at heterogeneous solid-solid interfaces in batteries2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      CECAM/Psi-k Flagship Workshop "Materials Design for Energy Storage and Conversion: Theory and Experiment"
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Analysis and optimization for Li conductive NASICON-type LiZr2(PO3)4 solid electrolytes2021

    • Author(s)
      Masanobu Nakayama
    • Organizer
      45th International Conference and Expo on Advanced Ceramics and Composites (ICACC2021)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 材料インフォマティクスを活用した蓄電池材料の効率的な最適化と発見2021

    • Author(s)
      中山 将伸
    • Organizer
      CAE POWER 2020
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Introduction: Materials informatics for a low-carbon society2021

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      e-ASIA Joint Research Program Online Workshop on Materials Informatics
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算による金属 Li とガーネット型固体電解質材料の固固界面評価2021

    • Author(s)
      岩崎 梨音、石田 国大、谷端 直人、武田 はやみ、中山 将伸
    • Organizer
      日本セラミックス協会2021年年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 高成形性を有するLiAlCl4固体電解質のメカノケミカル合成と電気化学的評価2021

    • Author(s)
      谷端直人、瀧本秀太、中野高毅、武田はやみ、中山将伸、鷲見 裕史
    • Organizer
      日本セラミックス協会2021年年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 機械学習の最前線:電気化学デバイス材料微構造設計のための機械学習2021

    • Author(s)
      井上 元
    • Organizer
      2021 年度 SOFC 研究会総会 及び第 119 回 SOFC 研究会 (Web 講演会)
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] DFT Sampling Studies on Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries2020

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      ENGE 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical Analysis of Microscopic Interface Ionics at Heterogeneous Solid-Solid Interfaces in Batteries2020

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 反応科学超高圧走査透過電子顕微鏡の最前線2020

    • Author(s)
      武藤俊介
    • Organizer
      学振ナノプローブテクノロジー第167委員会 第94回研究会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 蓄電固体界面の材料シミュレーションとインフォマティクス2020

    • Author(s)
      中山 将伸
    • Organizer
      日本セラミックス協会 第33回秋季シンポジウム
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] Using Bayesian Optimization to Accelerate the Screening of Perovskite-type Solid Electrolyte for All-Solid-State Li-ion Batteries2020

    • Author(s)
      Zijian Yang、Naoto Tanibata、Hayami Takeda、Masanobu Nakayama
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 全固体リチウム金属電池用電解質LiAlCl4のメカノケミカル合成と電気化学特性2020

    • Author(s)
      瀧本秀太, 中野高毅, 谷端直人, 武田はやみ, 中山将伸
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 第一原理計算による全固体リチウムイオン電池における正極-固体電解質界面の構造解析2020

    • Author(s)
      石田国大、近藤諒、谷端直人、武田はやみ、中山将伸
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 高イオン伝導性固体電解質材料の探索に向けた機械学習型力場の構築2020

    • Author(s)
      近藤諒、宮路康裕、中野高毅、小林亮、中山将伸
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Highly efficient composition optimization of high Li-ion conductors using material simulation and Bayesian optimization2020

    • Author(s)
      Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama, Yusuke Noda, Ryo Kobayashi, and Ichiro Takeuchi
    • Organizer
      6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE 2020)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Preparation of Metastable Chloride Solid Electrolyte with High Formability for All-Solid-State Lithium Metal Batteries2020

    • Author(s)
      Shuta Takimoto, Koki Nakano, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE 2020)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structure Classification for Li Containing Oxides by Machine Learning2020

    • Author(s)
      Risa Yasuda, Taruto Atsumi, Naoto Tanibata, Hayami Takeda, Masanobu Nakayama
    • Organizer
      6th International Conference on Electronic Materials and Nanotechnology for Green Environment (ENGE 2020)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 電極層内の粒子分散状態が全固体電池特性に及ぼす影響2020

    • Author(s)
      井上 元・宗 マグヌス・ 平手 隆晴・柘植 義文
    • Organizer
      化学工学会 第51回秋季大会(2020)
    • Related Report
      2020 Annual Research Report
  • [Presentation] 外部応力と体積変化を考慮した全固体電池の電池特性シミュレーション2020

    • Author(s)
      布下 敬太・平手 隆晴・木村 直樹・井上 元・柘植 義文
    • Organizer
      化学工学会 第51回秋季大会(2020)
    • Related Report
      2020 Annual Research Report
  • [Presentation] 計算、観察、機械学習による多孔質電極構造特性の推定2020

    • Author(s)
      石川 翔太・宋 マグヌス・木村 直樹・井上 元・柘植 義文
    • Organizer
      化学工学会 第51回秋季大会(2020)
    • Related Report
      2020 Annual Research Report
  • [Presentation] Evaluation of effect of volume expansion on cell performance of all-solid-state batteries with 1D simulation2020

    • Author(s)
      Keita Nunoshita, Gen Inoue,Yoshifumi Tsuge,Naoki Kimura
    • Organizer
      2020年 電気化学秋季大会 (PRiME2020:第8回日米合同大会)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Simulation of Correlation Estimation of Porous Structure Properties of Secondary Battery Using Machine Learning2020

    • Author(s)
      Shota Ishikawa, Gen Inoue,Yoshifumi Tsuge,Naoki Kimura
    • Organizer
      2020年 電気化学秋季大会 (PRiME2020:第8回日米合同大会)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Modelling Intercalation Induced Stresses in All Solid-State Batteries Using Discrete Element Method2020

    • Author(s)
      Magnus So, Ryusei Hirate, Keita Nunoshita, Shota Ishikawa, and Yoshifumi Tsuge
    • Organizer
      2020年 電気化学秋季大会 (PRiME2020:第8回日米合同大会)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 実験データ解析に機械学習は本当に有効か?2020

    • Author(s)
      武藤俊介
    • Organizer
      日本顕微鏡学会第76回学術講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 名古屋大学反応科学超高圧走査透過電子顕微鏡の新展開2020

    • Author(s)
      武藤俊介
    • Organizer
      日本顕微鏡学会第76回学術講演会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] ビームロッキング分析によるドーパント周りの局所格子歪みと酸素欠損サイトの評価2020

    • Author(s)
      大塚真弘, 織田健嗣, 田中誠, 北岡諭, 武藤俊介
    • Organizer
      日本顕微鏡学会第76回学術講演会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ヘテロ固固界面構造探索手法の開発と全固体電池界面への適用2020

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      日本セラミックス協会 第33回秋季シンポジウム
    • Related Report
      2020 Annual Research Report
  • [Presentation] Inevitable Critical Issues of Fluorinated Alkoxyborate-based Electrolytes in Magnesium Battery Applications2020

    • Author(s)
      Toshihiko Mandai, Atsushi Ishikawa, Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Electron and ion modulation at the NASICON solid-electrolyte/electrode interfaces at static and operating conditions in all-solid-state batteries: A DFT study2020

    • Author(s)
      Hong-Kang Tian, Randy Jalem, Bo Gao, Yoshitaka Tateyama
    • Organizer
      PRiME 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] A Theoretical Study for Revealing the Mechanism of Sodiation in Hard Carbon for High Capacity Anode2020

    • Author(s)
      Yong Youn, Azusa Kamiyama, Kei Kubota, Shinichi Komaba, Yoshitaka Tateyama
    • Organizer
      ENGE 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ガーネット型Li7La3Zr2O12/Li金属負極界面の安定性・酸化還元に関する第一原理計算研究2020

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 炭酸リチウムSEI/グラファイト負極界面におけるLiイオン輸送の第一原理計算解析2020

    • Author(s)
      館山佳尚、袖山慶太郎
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] スクシノニトリル系分子結晶電解質の高速リチウムイオン伝導機構の分子動力学解析2020

    • Author(s)
      佐々木 遼馬、守谷 誠、渡邊 佑紀、西尾 和記、一杉 太郎、館山 佳尚
    • Organizer
      電気化学会第88回大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Mg(B(HFIP)4)2系電解質におけるMg金属析出反応機構の解明2020

    • Author(s)
      トウルソン フィロラ, 山本 健太郎,万代 俊彦,館山 佳尚, 中西 康次, 内山 智貴, 渡邊 稔樹, 金村 聖志, 内本 喜晴
    • Organizer
      第61回電池討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Local stress distribution in phase-separated glass by scanning transmission electron microscopy-cathodoluminescence2020

    • Author(s)
      Shunsuke Muto, Taiki Yamada, Masahiro Ohtsuka, Haruhiko Yoshino, Shin-ichi Amma and Yoshimasa Takahashi
    • Organizer
      12th Asia-Pacific Microscopy Conference, APMC-2020
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Laplace変換インピーダンス法を用いたリチウム金属電極における非対称な充放電抵抗の解析2020

    • Author(s)
      谷端直人・森本陸・西川慶・武田はやみ・中山将伸
    • Organizer
      電気化学会第87回大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] “Evaluation of the Mg-ion conductivity and phase stability of Mg-ion conductor MgZr4(PO4)6 by DFT method”2020

    • Author(s)
      K. Nakano, Y. Noda, N. Tanibata, M. Nakayama, K. Kajihara, K. Kanamura
    • Organizer
      The 13th Pacific Rim Conference of Ceramic Societies,
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] エネルギー物質科学と界面イオニクス・エレクトロニクス2019

    • Author(s)
      館山 佳尚
    • Organizer
      第58回 玉城嘉十郎教授記念公開学術講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 第一原理酸化還元反応シミュレーション2019

    • Author(s)
      館山 佳尚
    • Organizer
      第33回分子シミュレーション討論会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 全固体電池とマテリアルズ・インフォマティクス2019

    • Author(s)
      中山 将伸
    • Organizer
      耐火物技術協会東海支部, 2019年度見学講習会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] omputational and theoretical electrochemistry of Li-ion states around electrode / solid electrolyte interfaces2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 10th Asian Conference on Electrochemical Power Sources 2019 (ACEPS-10)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] マテリアルズ・インフォマティクスによる蓄電池材料の探索2019

    • Author(s)
      中山 将伸
    • Organizer
      日本ファインセラミックス協会, JFCAセミナー
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] DFT Sampling Studies on Interface Ionics at Disordered Heterogeneous Solid-Solid Interfaces2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Single pass STEM-EMCD for quantitative magnetic moment measurement2019

    • Author(s)
      Shunsuke Muto
    • Organizer
      Beijing Conference and Exhibition on Instrumental Analysis (BCEIA 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Machine learning techniques for electron microscopic/spectroscopic image data analysis2019

    • Author(s)
      Shunsuke Muto
    • Organizer
      12th International Symposium on Atomic Level Characterization for New Materials and Devices ’19, ALC’19
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] High-voltage scanning/transmission electron microscopy at Nagoya―Where do we come from? What are we? Where are we going? ―2019

    • Author(s)
      Shunsuke Muto
    • Organizer
      International Conference on Analytical Science and Technology, ICAST 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT studies on ionic and electronic states around electrode/solid-electrolyte interfaces via efficient structure search techniques2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitor
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Data-Driven Materials Exploration of Ion Conductive Ceramics for All Solid-State Rechargeable Batteries with Materials Simulation2019

    • Author(s)
      Masanobu Nakayama
    • Organizer
      2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Quantitative element/site-selective chemical analysis of crystalline materials using a beam-rocking method2019

    • Author(s)
      Shunsuke Muto, and Masahiro Ohtsuka
    • Organizer
      Frontiers of Electron Microscopy on Materials Science, FEMMS 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Mining Physical/Chemical Properties from Nano-Scale Areas Using STEM Spectroscopic Methods and Informatics Techniques2019

    • Author(s)
      Shunsuke Muto, Jakob Spiegelberg, Motoki Shiga, Masahiro Ohtsuka and Jan Rusz
    • Organizer
      The 10th Pacific Rim International Conference on Advanced Materials and Processing, PRICM10
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] DFT sampling approach to interface and surface processes in catalyst and battery2019

    • Author(s)
      Yoshitaka Tateyama
    • Organizer
      CPMD Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 第一原理計算からみた蓄電池界面のイオン・電子状態2019

    • Author(s)
      館山 佳尚
    • Organizer
      第74回 固体イオニクス研究会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 材料シミュレーションとベイズ最適化を用いたNASICON型高Liイオン伝導体の探索2019

    • Author(s)
      中野高毅、小林亮、谷端直人、武田はやみ、中山将伸
    • Organizer
      日本セラミックス協会東海支部学術研究発表会
    • Related Report
      2019 Annual Research Report
  • [Presentation] メカノケミカル法によるLi2FeCl4の合成とリチウムイオン伝導性評価2019

    • Author(s)
      谷端直人・加藤雅士・中野高毅・武田はやみ・中山将伸
    • Organizer
      第58回セラミックス基礎科学討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 高Naイオン伝導性Na2V3O7電極の構造解析とDFT計算を用いたNa拡散機構解析2019

    • Author(s)
      谷端直人・前田将基・近藤祐生・山田祥平・武田はやみ・中山将伸・Christian Masquelier
    • Organizer
      第58回 東海若手セラミスト懇話会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Li過剰NASICON型固体電解質のLiイオン伝導性評価及び高伝導性組成探索2019

    • Author(s)
      原田真帆,武田はやみ,中野高毅,谷端直人,中山将伸
    • Organizer
      第60回電池討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ベイズ最適化によるLi過剰NASICON型酸化物系固体電解質の高伝導性組成探索2019

    • Author(s)
      原田真帆,武田はやみ,中野高毅,谷端直人,中山将伸
    • Organizer
      第58回セラミックス基礎討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] ハイスループット計算と機械学習によるナトリウム電池材料の探索2019

    • Author(s)
      李 海仁、中野高毅、谷端 直人、武田はやみ、中山将伸
    • Organizer
      第58回セラミックス基礎討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 第一原理計算によるLi過剰系酸フッ化物正極材料のレドックス機構解析2019

    • Author(s)
      前田将基、谷端直人、中山将伸、薮内直明
    • Organizer
      第58回セラミックス基礎討論会
    • Related Report
      2019 Annual Research Report
  • [Presentation] 材料シミュレーションとベイズ最適化を用いた高Liイオン伝導体の高効率組成最適化2019

    • Author(s)
      中野高毅、谷端直人、武田はやみ、中山将伸、野田祐輔、小林亮、竹内一郎
    • Organizer
      電気化学会第87回大会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Charge reaction mechanisms of rocksalt-type Li1.2Mn0.4Ti0.4O2 cathode oxides using first principals calculations2019

    • Author(s)
      Sayaka Kondo,Naoto Tanibata,Hayami Takeda,Masanobu Nakayama,Naoaki Yabuchi
    • Organizer
      The 13th Pacific Rim Conference of Ceramics Societies
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] High-throughput Force Field Calculation towards the Search for Fast Ion Conductive Materials2019

    • Author(s)
      Y. Miyaji, K. Nakano, N. Tanibata, M. Nakayama, R. Kobayashi
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Computational study of diffusition evaluation of spinel cathodes materials for Mg ion batteries2019

    • Author(s)
      Taruto ATSUMI, Kohei SHIMOKAWA, Maho HARADA, Masanobu NAKAYAMA, Tetsu ICHITSUBO
    • Organizer
      Materials Research Meeting 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] リチウムイオン電池・燃料電池の数値解析とモデリング(化学工学的アプローチ)2019

    • Author(s)
      井上 元
    • Organizer
      電気化学会関東支部 第 55 回学際領域セミナー 電気化学デバイスの実用化に向けた学際的アプローチ
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Simulation for all-solid state batteries with multi-element network model2019

    • Author(s)
      Ryusei Hirate, Hiroki Mashioka, Shinichiro Yano, Gen Inoue, Yoshifumi Tsuge
    • Organizer
      18th Asian Pacific Confederation of Chemical Engineering Congress, APCChE 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Evaluation of porous structure on dynamic behavior in Lithium-ion batteries by numerical simulation2019

    • Author(s)
      Gen Inoue, Hiroki Mashioka, Yoshifumi Tsuge
    • Organizer
      18th Asian Pacific Confederation of Chemical Engineering Congress, APCChE 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Integrated simulation approach to understand the relationship between fabrication process and cell performance in polymer electrolyte fuel cells2019

    • Author(s)
      Gen Inoue
    • Organizer
      The Fifth International Symposium on Innovative Materials and Processes in Energy Systems, IMPRES2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Identifying parameters from discharging and relaxation curves of Lithium-ion batteries using porous electrode theory2019

    • Author(s)
      Hiroki Mashioka, Gen Inoue, Yoshifumi Tsuge
    • Organizer
      The Fifth International Symposium on Innovative Materials and Processes in Energy Systems, IMPRES2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Interface of electrode-solid electrolyte composite of ASS-LIB fabricated by aerosol deposition analysed by STEM- EELS2019

    • Author(s)
      Y. Yamamoto, Y. Iriyama, S. Muto
    • Organizer
      International Conference on Materials and Systems for Sustainability (ICMaSS2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 固体酸化物電解質表面とAD法で作製した複合電極界面のSTEM-EELS分析2019

    • Author(s)
      山本 悠太, 入山 恭寿, 武藤 俊介
    • Organizer
      日本顕微鏡学会第75回学術講演会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Recent progress in quantitative STEM-energy loss magnetic chiral dichroism measurement,2019

    • Author(s)
      Shunsuke Muto
    • Organizer
      Beijing Conference and Exhibition on Instrumental Analysis (BCEIA 2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Microscope mechanism of Li-ion transport at Interfaces between LiCoO2 Cathode and Sulfide Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama
    • Organizer
      Materials research meeting 2019, MRS-Japan
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama
    • Organizer
      The 10th Asian Conference on Electrochemical Power Sources 2019, The organizing committee of ACEPS-10
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] The Oxidative Coupling of Methane Catalyzed by MgO; A First-Principle Based Microkinetics and Ab-initio Molecular Dynamics Study2019

    • Author(s)
      Atsushi Ishikawa and Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] AMP2: A Package for Automated Ab-initio Calculation for Crystalline Materials2019

    • Author(s)
      Yong Youn, Miso Lee, Changho Hong, Doyeon Kim, Kanghoon Yim, Yoshitaka Tateyama,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Force Field Parameterization using Genetic Algorithm for Lithium-Ion Battery Applications2019

    • Author(s)
      Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi,
    • Organizer
      The 22nd Asian Workshop on First-Principles Electronic Structure Calculations (Asian-22)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Genetic Algorithm Based Force Field Parameterization for Lithium-Ion Battery Applications2019

    • Author(s)
      Xichan Gao, Yoshitaka Tateyama, Kazuto Akagi,
    • Organizer
      計算物質科学人材育成コンソーシアム(PCoMS)シンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] Atomic-scale insight into surface morphology and stability of interface between garnet Li7La3Zr2O12 and Li metal from first principles2019

    • Author(s)
      Bo Gao, Randy Jalem, Yoshitaka Tateyama,
    • Organizer
      2nd World Conference on Solid Electrolytes for Advanced Applications: Garnets and Competitors (Garnet2019), Organizing Committee of Garnet 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Density Functional Theory-Based Microkinetic Analysis of Oxidative Coupling of Methane Catalyzed by Pure and Lithium-Doped Magnesium Oxide2019

    • Author(s)
      Atsushi Ishikawa, Yoshitaka Tateyama,
    • Organizer
      EuropaCat2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide2019

    • Author(s)
      Atsushi Ishikawa, Yoshitaka Tateyama,
    • Organizer
      APCAT-8
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Effects of Magnesium-Organo-Haloaluminate complex in Magnesium Ion Battery electrolytes: A Car-Parrinello Molecular Dynamics (CPMD) Study2019

    • Author(s)
      Ashu Choudhary, Keitaro Sodeyama, Yoshitaka Tateyama,
    • Organizer
      CPMD Meeting 2019 - Pushing the Boundaries of Molecular Dynamics
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structure Search and Property Analysis of Interfaces between Cathode and Solid Electrolyte in All-Solid-State Battery via DFT-CALYPSO Method2019

    • Author(s)
      Bo Gao, Randy Jalem, Yanming Ma, Yoshitaka Tateyama,
    • Organizer
      The eleventh International Conference on the Science and Technology for Advanced Ceramics (STAC-11)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Remarks] NIMS GREEN 界面計算科学グループホームーページ

    • URL

      https://www.nims.go.jp/group/cs/

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 名古屋工業大学中山研究室ホームページ

    • URL

      http://nakayama.web.nitech.ac.jp/jp/

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 九州大学井上研究室ホームページ

    • URL

      https://altair.chem-eng.kyushu-u.ac.jp/

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report
  • [Remarks] 北陸先端科学技術大学院大学ダム研究室ホームページ

    • URL

      http://www.jaist.ac.jp/~dam/

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 名古屋大学武藤研究室実験紹介

    • URL

      https://www.jove.com/v/62015

    • Related Report
      2023 Annual Research Report 2022 Annual Research Report 2021 Annual Research Report
  • [Remarks] 九州大学井上研究室ホームページ

    • URL

      https://altair.chem-eng.kyushu-u.ac.jp/ecs/

    • Related Report
      2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 名古屋大学武藤研究室ホームページ

    • URL

      http://www.nanoscopy.imass.nagoya-u.ac.jp/

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
  • [Funded Workshop] Interface IONICS International Online Symposium 20222022

    • Related Report
      2021 Annual Research Report

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Published: 2019-07-04   Modified: 2025-01-30  

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