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Materials design via atomic resolution vibrational analysis

Research Project

Project/Area Number 19H00818
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Review Section Medium-sized Section 26:Materials engineering and related fields
Research InstitutionThe University of Tokyo

Principal Investigator

Mizoguchi Teruyasu  東京大学, 生産技術研究所, 教授 (70422334)

Co-Investigator(Kenkyū-buntansha) 池野 豪一  大阪公立大学, 大学院工学研究科, 准教授 (30584833)
Project Period (FY) 2019-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥45,110,000 (Direct Cost: ¥34,700,000、Indirect Cost: ¥10,410,000)
Fiscal Year 2022: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2021: ¥17,550,000 (Direct Cost: ¥13,500,000、Indirect Cost: ¥4,050,000)
Fiscal Year 2020: ¥10,010,000 (Direct Cost: ¥7,700,000、Indirect Cost: ¥2,310,000)
Fiscal Year 2019: ¥12,870,000 (Direct Cost: ¥9,900,000、Indirect Cost: ¥2,970,000)
KeywordsEELS / XAFS / 原子振動 / 第一原理計算 / 機械学習 / 熱膨張 / 相分離 / 透過型電子顕微鏡 / 振動 / フォノン / 熱・高温 / 電子エネルギー損失分 / その場観察 / シミュレーション / 電子エネルギー損失分光 / 格子振動 / 理論計算 / STEM / 分子振動 / ELNES / XANES / 材料開発 / 電子線エネルギー損失分光
Outline of Research at the Start

最新の計測法でも未だ明らかにできない情報が存在している.それが固体・液体・気体を構成する原子や分子の局所的な“振動”に関する情報である.これまでに申請グループは走査透過型電子顕微鏡(STEM)により測定される電子分光(EELS)と高度なスペクトル計算を融合することで,固体,液体,気体を構成する原子・分子の振動を検出する手法を報告してきた.本研究は,高いレベルにあるSTEM-EELS計測,高精度EELS計算,さらに高速界面・表面モデリングを高度に融合することで局所的な振動を計測する手法を確立し,材料開発に活用する.

Outline of Final Research Achievements

In this study, we developed a method that combines electron energy loss spectroscopy (EELS) with advanced spectral calculations and machine learning to obtain high spatial resolution information on local atomic vibrations (related to heat and migration) in materials. We successfully performed experimental analysis of thermal properties and phase separation behavior in local regions under high temperatures. Additionally, the development of a spectral analysis method using machine learning enabled faster and more accurate analysis than conventional methods, and it was shown to be applicable for new property predictions. These achievements are expected to greatly contribute to the development of new heat-resistant and optical materials.

Academic Significance and Societal Importance of the Research Achievements

本研究の学術的な意義は,電子エネルギー損失分光と高度なスペクトル計算技術および機械学習を組み合わせることで,熱や拡散などの,局所的な原子振動情報を高い空間分解能で取得する新たな手法を確立した点にある.特に,高温下での熱物性や相分離挙動の解析に成功し,これまでの静止した構造観察の限界を超えた動的情報を得ることができた.さらに社会的意義として,本研究で開発された手法が新しい耐熱材料や光学材料の開発に大きく貢献する点や,機械学習を用いたスペクトルインフォマティックスの分野を切りひらいたという点でも意義があったといえる.本研究で開発した手法が今後のデバイスや素材の開発に寄与することが期待される.

Report

(6 results)
  • 2023 Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Comments on the Screening Results   Annual Research Report
  • Research Products

    (175 results)

All 2024 2023 2022 2021 2020 2019 Other

All Journal Article (54 results) (of which Int'l Joint Research: 5 results,  Peer Reviewed: 53 results,  Open Access: 30 results) Presentation (114 results) (of which Int'l Joint Research: 39 results,  Invited: 66 results) Book (3 results) Remarks (4 results)

  • [Journal Article] Full automation of point defect detection in transition metal dichalcogenides through a dual mode deep learning algorithm2024

    • Author(s)
      Dong-Hwan Yang, Yu-Seong Chu, Odongo Francis Ngome Okello, Seung-Young Seo, Gunho Moon, Kwang Ho Kim, Moon-Ho Jo, Dongwon Shin, Teruyasu Mizoguchi, Sejung Yang, Si-Young Choi
    • Journal Title

      Mater. Horizon

      Volume: 11 Issue: 3 Pages: 747-757

    • DOI

      10.1039/d3mh01500a

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Atomistic Probing of Defect-Engineered 2H-MoTe2 Monolayers2024

    • Author(s)
      O. Okello, SY. Seo, J. Park, DH. Yang, D. Shin, YS. Chu, S. Yang, T. Mizoguchi, MH. Jo; SY. Choi
    • Journal Title

      ACS Nano

      Volume: 18 Issue: 9 Pages: 6927-6935

    • DOI

      10.1021/acsnano.3c08606

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Lightweight and high-precision materials property prediction using pre-trained Graph Neural Networks and its application to small dataset2024

    • Author(s)
      K. Nishio, K. Shibata, and T. Mizoguchi
    • Journal Title

      Appl. Phys. Exp.

      Volume: 17 Issue: 3 Pages: 037002-037002

    • DOI

      10.35848/1882-0786/ad2a06

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Combinatorial characterization of metastable luminous silver cations2024

    • Author(s)
      H. Masai, M. Koshimizu, H. Kawamoto, S. Maruyama, Y. Matsumoto, C. Takahashi, H. Setoyama, and T. Mizoguchi
    • Journal Title

      Scientific Reports

      Volume: 14

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] LCAONet: Message-passing with physically optimized atomic basis functions2024

    • Author(s)
      K. Nishio, K. Shibata, and T. Mizoguchi
    • Journal Title

      arXiv

      Volume: abs

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Microscopic chemical characterization of epoxy resin with scanning transmission electron microscopy ? electron energy-loss spectroscopy2024

    • Author(s)
      Huang Hsin-Hui、Miyata Tomohiro、Sato Yohei K.、Mizoguchi Teruyasu、Jinnai Hiroshi、Yoshida Kaname
    • Journal Title

      Micron

      Volume: 180 Pages: 103623-103623

    • DOI

      10.1016/j.micron.2024.103623

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of inorganic material surface chemistry on structures and fracture behaviours of epoxy resin2024

    • Author(s)
      T. Miyata, Y. Sato, HF, Wang, A. Kumagai, Y. Kawagoe, K. Shirasu, S. Kinoshita, K. Yoshida, HH Huang, T. Okabe, M. Mizukami, K. Hagita, T. Mizoguchi, and H. Jinnnai
    • Journal Title

      Nature Comm.

      Volume: 15

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination2023

    • Author(s)
      Y. Hata, YS. Xie, K. Shibata, and T. Mizoguchi
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 131 Issue: 10 Pages: 738-745

    • DOI

      10.2109/jcersj2.23019

    • ISSN
      1348-6535, 1882-0743
    • Year and Date
      2023-10-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Tensile strength of a transverse grain boundary in a single-walled carbon nanotube2023

    • Author(s)
      YS. Xie, K. Shibata, and T. Mizoguchi
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 131 Issue: 10 Pages: 621-627

    • DOI

      10.2109/jcersj2.23062

    • ISSN
      1348-6535, 1882-0743
    • Year and Date
      2023-10-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A defect formation mechanism induced by structural reconstruction of a well-known silicon grain boundary2023

    • Author(s)
      YS. Xie, K. Shibata, and T. Mizoguchi
    • Journal Title

      Acta Mater.

      Volume: 250 Pages: 118827-118827

    • DOI

      10.1016/j.actamat.2023.118827

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Possible New Graphite Intercalation Compounds for Superconductors and Charge Density Wave Materials: Systematic Simulations with Various Intercalants Using a van der Waals Density Functional Method2023

    • Author(s)
      N. Kawaguchi, K. Shibata, and T. Mizoguchi
    • Journal Title

      . Phys. Chem. C

      Volume: 127 Issue: 20 Pages: 9833-9843

    • DOI

      10.1021/acs.jpcc.3c01073

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Prediction of the Ground State Electronic Structure from Core-loss Spectra of Organic Molecules by Machine Learning2023

    • Author(s)
      PY. Chen, K. Shibata, K. Hagita, T. Miyata, and T. Mizoguchi
    • Journal Title

      J. Phys. Chem. Lett.

      Volume: 14 Issue: 20 Pages: 4858-4865

    • DOI

      10.1021/acs.jpclett.3c00142

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Twist-induced interlayer charge buildup in a WS2 bilayer revealed by electron Compton scattering and density functional theory2023

    • Author(s)
      A Talmantaite, Y Xie, A Cohen, PK Mohapatra, A Ismach, T Mizoguchi, SJ Clark, BG Mendis
    • Journal Title

      Phys. Rev. B

      Volume: 107 Issue: 23

    • DOI

      10.1103/physrevb.107.235424

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] A lithium superionic conductor for millimeter-thick battery electrode2023

    • Author(s)
      Y. Lee, S. Song, H. Kim, K. Nomoto, H. Kim, X. Sun, S. Hori, K. Suzuki, N. Matsui, M. Hirayama, T. Mizoguchi, T. Saito, T. Kamiyama, and R. Kanno
    • Journal Title

      Science

      Volume: 381 Issue: 6653 Pages: 50-53

    • DOI

      10.1126/science.add7138

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 機械学習を活用した界面および表面の構造解析と物性予測2023

    • Author(s)
      溝口照康
    • Journal Title

      セラミックス

      Volume: 58 Pages: 732-736

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 機械学習を利用した電子・X線分光からの物性予測2023

    • Author(s)
      溝口照康
    • Journal Title

      科学と工業

      Volume: 12月号 Vol.97 Pages: 357-364

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ceramic science of crystal defect cores2022

    • Author(s)
      Matsunaga Katsuyuki、Yoshiya Masato、Shibata Naoya、Ohta Hiromichi、Mizoguchi Teruyasu
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 130 Issue: 8 Pages: 648-667

    • DOI

      10.2109/jcersj2.22080

    • ISSN
      1348-6535, 1882-0743
    • Year and Date
      2022-08-01
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces2022

    • Author(s)
      YS. Xie, K. Shibata, and T. Mizoguchi
    • Journal Title

      Comp. Phys. Comm.

      Volume: 273

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Determination of the Spectrum& structure Relationship by Tree Structure-based Unsupervised and Supervised Learning2022

    • Author(s)
      S. Kiyohara, *K. Kikumasa, K. Shibata, and T. Mizoguchi
    • Journal Title

      Ultramicroscopy

      Volume: 233

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 人工知能を利用した界面物性および表面物性の予測”2022

    • Author(s)
      溝口照康, 柴田基洋
    • Journal Title

      セラミックデータブック

      Volume: 49 Pages: 37-42

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantum Oscillations from Fermi arc Surface States in Cd3As2 Nanowires2022

    • Author(s)
      Y. Miyazaki, T. Yokouchi, K. Shibata, Y. Chen, H.Arisawa, T. Mizoguchi, E. Saitoh, and Y. Shiomi
    • Journal Title

      Phys. Rev. Res.

      Volume: 4

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Simulated carbon K edge spectral database of organic molecules2022

    • Author(s)
      K. Shibata, K. Kikumasa, S. Kiyohara, and T. Mizoguchi
    • Journal Title

      Scientific Data

      Volume: 9

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 深層学習モデリング活用によるナノ材料シミュレーション2022

    • Author(s)
      溝口照康,梅野宜崇
    • Journal Title

      機械の研究

      Volume: Vol. 74, No. 5 Pages: 329-336

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multimetastability effect on the intermediate stage of phase separation in BaO-SiO2 glass2022

    • Author(s)
      K. Nakazawa, Y. Tsukada, S. Amma, K. Shibata, and T. Mizoguch
    • Journal Title

      Phys. Rev. Res.

      Volume: 4 Issue: 3

    • DOI

      10.1103/physrevresearch.4.033052

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 機能コア解析のためのソフトウェア開発と応用2022

    • Author(s)
      世古敦人,豊浦和明,柴田基洋,溝口照康
    • Journal Title

      まてりあ

      Volume: Vol. 61, No. 10 Pages: 634-639

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] STEM-EELSを用いた局所原子配位環境と熱膨張の計測2022

    • Author(s)
      溝口照康,柴田基洋
    • Journal Title

      ファインセラミックスレポート

      Volume: Vol. 40, No. 4 Pages: 146-153

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] interface_master: Python package building CSL and approximate CSL interfaces of any two lattices & an effective tool for interface engineers2022

    • Author(s)
      YS. Xie, K. Shibata, and T. Mizoguchi
    • Journal Title

      arxiv

      Volume: abs

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Determination of the Spectrum-structure Relationship by Tree Structure-based Unsupervised and Supervised Learning2022

    • Author(s)
      *S. Kiyohara, *K. Kikumasa, K. Shibata, and T. Mizoguchi
    • Journal Title

      Ultramicroscopy

      Volume: 233

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 人工知能を利用した界面物性および表面物性の予測2022

    • Author(s)
      *溝口照康, 柴田基洋
    • Journal Title

      セラミックデータブック 2021/2022

      Volume: 49 Pages: 37-42

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quantification of the Properties of Organic Molecules Using Core‐Loss Spectra as Neural Network Descriptors2021

    • Author(s)
      Kikumasa Kakeru、Kiyohara Shin、Shibata Kiyou、Mizoguchi Teruyasu
    • Journal Title

      Advanced Intelligent Systems

      Volume: 4 Issue: 1 Pages: 2100103-2100103

    • DOI

      10.1002/aisy.202100103

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Dataset on structure and physical properties of stable diatomic systems based on van der Waals density functional method2021

    • Author(s)
      K. Shibata, E. Suzuki, and T. Mizoguchi
    • Journal Title

      Data in Brief

      Volume: 36 Pages: 106968-106968

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Robotic fabrication of high-quality lamellae for aberration-corrected transmission electron microscopy2021

    • Author(s)
      H. Tsurusawa, N. Nakanishi,K. Kawano, Y. Chen,B. V. Leer, T. Mizoguchi
    • Journal Title

      Scientifc Reports

      Volume: 11

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers2021

    • Author(s)
      M. Tsubaki and T. Mizoguchi
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 17 Pages: 7814-7821

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy2021

    • Author(s)
      K. Liao, K. Shibata,and T. Mizoguchi
    • Journal Title

      Nano Letters

      Volume: 21 Pages: 10416-10422

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 2p x-ray absorption spectroscopy of 3d transition metal systems2021

    • Author(s)
      de Groot Frank M.F.、Hidekazu Ikeno、et al.
    • Journal Title

      Journal of Electron Spectroscopy and Related Phenomena

      Volume: 249 Pages: 147061-147061

    • DOI

      10.1016/j.elspec.2021.147061

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] 機械学習を利用した結晶界面構造決定と構造機能相関2020

    • Author(s)
      溝口照康,清原慎,大谷龍剣
    • Journal Title

      触媒

      Volume: 62 Pages: 35-41

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Machine learning approaches for ELNES/XANES2020

    • Author(s)
      Mizoguchi Teruyasu、Kiyohara Shin
    • Journal Title

      Microscopy

      Volume: ー Issue: 2 Pages: 1-18

    • DOI

      10.1093/jmicro/dfz109

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 結晶界面インフォマティクス:構造決定と構造機能相関2020

    • Author(s)
      大谷龍剣,清原慎,溝口照康
    • Journal Title

      まてりあ

      Volume: 59 Pages: 134-138

    • NAID

      130007804020

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Prediction of interface and vacancy segregation energies at silver interfaces without determining interface structures2020

    • Author(s)
      R. Otani, S. Kiyohara, K. Shibata and T. Mizoguchi
    • Journal Title

      Applied Physics Express

      Volume: 13

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Real-Space Mapping of Oxygen Coordination in Phase-Separated Aluminosilicate Glass: Implication for Glass Stability2020

    • Author(s)
      K. Liao, M. Haruta, A. Masuno, H. Inoue, H. Kurata, and T. Mizoguchi, Y. Ikuhara
    • Journal Title

      ACS Applied Nano Materials

      Volume: 3 Issue: 6 Pages: 5053-5060

    • DOI

      10.1021/acsanm.0c00196

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Learning excited states from ground states by using an artificial neural network2020

    • Author(s)
      Kiyohara Shin、Tsubaki Masashi、Mizoguchi Teruyasu
    • Journal Title

      npj Computational Materials

      Volume: 6 Issue: 1 Pages: 1-6

    • DOI

      10.1038/s41524-020-0336-3

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] EQCM Analysis of Intercalation Species into Graphite Positive Electrodes for Al Batteries2020

    • Author(s)
      S. Yamagata, I. Takahara, M. Wang, T. Mizoguchi, and S. Yagi
    • Journal Title

      J. Alloy and Comp.

      Volume: 846

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Local thickness and composition measurements from scanning convergent-beam electron diffraction of a binary non-crystalline material obtained by a pixelated detector2020

    • Author(s)
      K. Nakazawa, K. Shibata, K. Mitsuishi, S. Amma, and T. Mizoguchi
    • Journal Title

      Ultramicroscopy

      Volume: 217

    • Related Report
      2020 Annual Research Report
    • Open Access
  • [Journal Article] Radial distribution function from X-ray absorption near edge structure with an artificial neural network2020

    • Author(s)
      S. Kiyohara and T. Mizoguchi
    • Journal Title

      J. Phys. Soc. Jpn (Letter)

      Volume: 89

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] In situ observation of the dynamics in the middle stage of spinodal decomposition of a silicate glass via scanning transmission electron microscopy2020

    • Author(s)
      K. Nakazawa, S. Amma, and T. Mizoguchi
    • Journal Title

      Acta Mater.

      Volume: 200 Pages: 720-726

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Quantum Deep Field: Data-Driven Wave Function, Electron Density Generation, and Atomization Energy Prediction and Extrapolation with Machine Learning2020

    • Author(s)
      M. Tsubaki and T. Mizoguchi
    • Journal Title

      Phys. Rev. Lett.

      Volume: 125

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS2020

    • Author(s)
      K. Liao, A. Masuno, A. Taguchi, H. Moriwake, H. Inoue, and T. Mizoguchi
    • Journal Title

      J. Phys. Chem. Lett.

      Volume: 11 Pages: 9637-9642

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] データ駆動型内殻電子励起分光スペクトル(ELNES/XANES)解析2020

    • Author(s)
      溝口照康,清原慎
    • Journal Title

      日本化学会情報化学部会誌

      Volume: 38 Pages: 16-19

    • NAID

      130007960372

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed
  • [Journal Article] "Reduced-Shifted Conjugate-Gradient Method with Seed Switching for Calculating X-ray Absorption Spectra”2020

    • Author(s)
      H. Ikeno and M. Urasaki
    • Journal Title

      Materials Transactions

      Volume: -

    • NAID

      130007879872

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] "Quantitative estimation of properties from core-loss spectrum via neural network"2019

    • Author(s)
      S. Kiyohara, M. Tsubaki, Kunyen Liao, and T. Mizoguchi
    • Journal Title

      J. Phys.: Materials,

      Volume: 2

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] "EELSと第一原理計算によるエキシトン,原子振動および van derWaals 力の解析"2019

    • Author(s)
      溝口照康,清原慎
    • Journal Title

      セラミックス

      Volume: 54 Pages: 456-463

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] "機械学習を活用したスペクトル解析"2019

    • Author(s)
      溝口照康,清原慎
    • Journal Title

      Isotope News

      Volume: 764 Pages: 20-23

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] "Atomic-scale investigation of the heterogeneous structure and ionic distribution in an ionic liquid using scanning transmission electron microscopy"2019

    • Author(s)
      Y. Sugimori, T. Miyata, H. Hashiguchi, E. Okunishi, and T. Mizoguchi
    • Journal Title

      RSC Advances

      Volume: 9 Pages: 10520-10527

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] "Vibrational Effects in X-ray Absorption Spectra of 2D Layered Materials"2019

    • Author(s)
      W. Olovsson, T. Mizoguchi, M. Magnuson, S. Kontur, A. Togo, O. Hellman, I. Tanaka, and C. Draxl
    • Journal Title

      J. Phys. Chem. C

      Volume: 123 Pages: 9688-9692

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 機械学習と理論計算によるEELSからの情報抽出2024

    • Author(s)
      溝口照康
    • Organizer
      顕微インフォマティクス研究会第5回研究会,駒場, 東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習と第一原理計算,原子分解能計測を活用した無機材料解析2024

    • Author(s)
      溝口照康
    • Organizer
      固体化学フォーラム,京都大学桂キャンパス, 京都
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算と機械学習による物質探索とナノ構造解析2024

    • Author(s)
      溝口照康
    • Organizer
      RIST材料系ワークショップ,秋葉原, 東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習を活用した物質の分析と探索2024

    • Author(s)
      溝口照康
    • Organizer
      分析イノベーション交流会,東京たま未来メッセ, 八王子
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算を用いたねじれ二層グラフェンにおけるイオンインターカレーションに関する研究2024

    • Author(s)
      Yebin Lee, 柴田基洋,溝口照康
    • Organizer
      日本金属学会2024春季大会,東京理科大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 異方性を考慮したグラフニューラルネットワークの開発:異方的ELNES/XANESスペクトル予測への利用2024

    • Author(s)
      柴田基洋,溝口照康
    • Organizer
      応用物理学会2024春季大会,東京都市大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 拡散モデルを用いた回転に対する同変・不変量の同時生成による結晶構造生成2024

    • Author(s)
      高原泉,柴田基洋,溝口照康
    • Organizer
      応用物理学会2024春季大会,東京都市大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] STEM-EELSやXAFSを用いた局所分析の基礎(第一部)2023

    • Author(s)
      溝口照康
    • Organizer
      ニューガラスフォーラム2022年度第一回評価技術研究会,オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] STEM-EELSやXAFSを用いたガラスの局所分析(第二部)2023

    • Author(s)
      溝口照康
    • Organizer
      ニューガラスフォーラム2022年度第一回評価技術研究会,オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] XAFSおよびSTEM-EELSを用いたガラスの局所分析の基礎と応用2023

    • Author(s)
      溝口照康
    • Organizer
      弘前大学理工学部物質創生化学科セミナー,弘前大学,青森
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 原子・電子レベルシミュレーション,計測,データ科学のその先に2023

    • Author(s)
      溝口照康
    • Organizer
      革新的シミュレーションセンターシンポジウム・「力学の未来」,東京大学生産技術研究所
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習と分光法を用いた物質解析”2023

    • Author(s)
      溝口照康
    • Organizer
      第194回電子セラミック・プロセス研究会,TKPガーデンシティPREMIUM名古屋駅前,名古屋
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Application of Machine Learning for Nano-Characterization2023

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      NanoKorea 2023,KINTEX, Seoul,Republic of Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 機械学習を用いたXAFS/EELS解析と表面物性予測2023

    • Author(s)
      溝口照康
    • Organizer
      第61回オーロラセミナー,北海道大学触媒科学研究所,北海道
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習を用いたXAFS/EELS解析と表面物性予測2023

    • Author(s)
      溝口照康
    • Organizer
      第17回固体イオニクスセミナー第5回若手勉強会,山形ルーセントタカミヤ,山形
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 次世代放射光 × 情報科学2023

    • Author(s)
      溝口照康
    • Organizer
      東大が導く次世代放射光サイエンス,東京大学弥生講堂
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習を活用したXAFSスペクトルからの情報抽出2023

    • Author(s)
      溝口照康
    • Organizer
      第9回SPring-8先端放射光技術による化学イノベーション研究会,品川AP
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 機械学習と原子分解能計測,第一原理計算を複合利用したナノ構造解析2023

    • Author(s)
      溝口照康
    • Organizer
      東レセミナー,オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Unlocking the power of EELS via machine learning2023

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      ICAE 2023,Jeju, Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Materials Characterization using DFT simulation, STEM-EELS, and machine learning2023

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Dong-A University Seminor,Busan, Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 情報科学が拓くEELS解析のフロンティア2023

    • Author(s)
      溝口照康
    • Organizer
      日本顕微鏡学会シンポジウム・関東支部会講演会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Artificial Intelligence for EELS/XAFS2023

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      PRICM 2023,Jeju, Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 一次元記述子と機械学習による表面とスペクトル解析2023

    • Author(s)
      溝口照康
    • Organizer
      第46回ケモインフォマティクス討論会,中央大学, 東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] CASTEPを利用したELNES/XANESデータベースの作成と機械学習を活用したスペクトル解析2023

    • Author(s)
      溝口照康
    • Organizer
      BIOVIA ユーザーズグループミーティング,品川, 東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 金属ナノクラスター設計のための電子状態密度の特徴解析と予測2023

    • Author(s)
      柴田基洋,溝口照康
    • Organizer
      日本MRS-J,横浜, 神奈川
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算と電子顕微鏡,情報科学を用いた物質研究2023

    • Author(s)
      溝口照康
    • Organizer
      東京理科大学特別講義,葛飾, 東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Machine learning for functional core characterization2023

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Materials Research Meeting (MRM) 2023,京都国際会館, 京都
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 有機高分子材料分析に向けた機械学習による炭素K吸収端ELNES/XANESの形状予測の検討2023

    • Author(s)
      柴田基洋, 溝口照康
    • Organizer
      第70回応用物理学会 春季学術講演会,上智大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] グラフェン上の多様な結合種を予測可能な機械学習モデルの開発2023

    • Author(s)
      西尾健人、柴田基洋、溝口照康
    • Organizer
      第70回応用物理学会 春季学術講演会,上智大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算による新規黒鉛層間化合物超伝導体の探索2023

    • Author(s)
      川口直登, 柴田基洋, 溝口照康
    • Organizer
      第70回応用物理学会 春季学術講演会,上智大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 事前学習済みグラフニューラルネットワークを活用した小規模データセットに対する材料物性予測2023

    • Author(s)
      西尾健人,柴田基洋,溝口照康
    • Organizer
      日本金属学会2023年秋季大会,富山大学,富山
    • Related Report
      2022 Annual Research Report
  • [Presentation] 機械学習を用いた内殻電子励起スペクトルからの基底状態原子・電子構造解析法の開発2023

    • Author(s)
      高原泉,柴田基洋,溝口照康
    • Organizer
      日本金属学会2023年秋季大会,富山大学,富山
    • Related Report
      2022 Annual Research Report
  • [Presentation] 結晶構造の生成モデリングおよびメトリクスの検討2023

    • Author(s)
      高原泉,柴田基洋,溝口照康
    • Organizer
      ケモインフォマティクス討論会2023,中央大学,東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 一次元記述子を用いた表面・分子物性の予測2022

    • Author(s)
      溝口照康
    • Organizer
      表面真空学会・関東支部会講演会,オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Data-driven approaches for EELS2022

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      日本顕微鏡学会学術講演会・Thailand-Japan international sympo. 郡山市,福島県
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] In Situ TEM Measurement of Magnetic and Thermal Dynamic Process of Nano-Scale Structures2022

    • Author(s)
      Kiyou. Shibata
    • Organizer
      2022 MRS Spring Meeting & Exhibit, Online
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 機械学習を活用した格子欠陥における構造機能相関の理解2022

    • Author(s)
      溝口照康
    • Organizer
      第2回マルチスケールマテリアルモデリングシンポジウム, オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 原子と電子で生産技術,最近インフォマティックス2022

    • Author(s)
      溝口照康
    • Organizer
      駒場リサーチキャンパス公開講演会,駒場リサーチキャンパス
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Data-driven spectral analysis for materials characterization2022

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      CIMTEC 2022,Perugia, Italy
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] データ駆動型XAFS解析と機械学習を活用したXANES計算の高速化2022

    • Author(s)
      溝口照康
    • Organizer
      第11回SPring-8データ科学研究会,ニチイ学館,神戸市
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] MIを活用した界面・表面の構造決定と物性の予測2022

    • Author(s)
      溝口照康
    • Organizer
      化学フェスタ2022,船堀,東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一部:機械学習と第一原理計算を活用した界面・表面の構造解析と物性予測2022

    • Author(s)
      溝口照康
    • Organizer
      JFCC材料計算セミナー,JFCC,名古屋
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第二部:機械学習と第一原理計算によるEELS/XAFSスペクトル解析2022

    • Author(s)
      溝口照康
    • Organizer
      JFCC材料計算セミナー,JFCC,名古屋
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Machine learning approach for interface and surface2022

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      International Symposium on Noble and Nano Materials (ISNNM2022),Jeju,Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Application of AI for EELS2022

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Kamakura 2022,Kanagawa
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 機械学習を活用したEELS解析の高度化2022

    • Author(s)
      溝口照康
    • Organizer
      分析電子顕微鏡討論会,オンライン
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算と電子顕微鏡,情報科学を用いた物質研究2022

    • Author(s)
      溝口照康
    • Organizer
      東京理科大学特別講義,金町,東京
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Ground state electronic structure prediction from ELNES/XANES by machine learning2022

    • Author(s)
      Poyen Chen, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      The 4th East-Asia Microscopy Conference (EAMC4), Online
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Prediction of Electronic Density of States at Ground State from ELNES/XANES2022

    • Author(s)
      Izumi Takahara, Poyen Chen, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      2022 MRS Fall Meeting & Exhibit, Boston, MA, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of Carbon K Edge Spectra of Organic Molecules Using a Graph Neural Network2022

    • Author(s)
      K. Shibata, and T. Mizoguchi
    • Organizer
      2022 MRS Fall Meeting & Exhibit, Boston, MA, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Development of a systematic and efficient method for searching for the most stable grain boundary structures: A method based on non-identical termination combination2022

    • Author(s)
      Y. Hata, Y. S. Xie, K. Shibata, and T. Mizoguchi
    • Organizer
      2022 MRS Fall Meeting & Exhibit, Online
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First-principles study on moir & ionics: Ion intercalation in twisted bilayer graphene2022

    • Author(s)
      Y. Lee, N. Kawaguchi, Y. Xie, K. Shibata, and T. Mizoguchi
    • Organizer
      Workshop on Functional Materials Science (FMS2023), Busan, Korea
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Implementation of Code to Calculate Crystal Orbital overlap population (COOP) and its Application to the Chemical-Bonding Analysis in Li-intercalated Layered Materials2022

    • Author(s)
      I. Takahara, K. Shibata, and T. Mizoguchi
    • Organizer
      FHI-aims developper’s meeting, 2023, Hamburg, Germany
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] First principles calculation of electron energy-loss near edge structure of twisted 2D van der Waals structures2022

    • Author(s)
      Y. Lee, K. Shibata, and T. Mizoguchi
    • Organizer
      International Microscopy Congress (IMC20), Busan, Korea.
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Data-Driven Approach for the Prediction of Ground State Electronic Density of States with Electron Energy Loss Spectroscopy2022

    • Author(s)
      I. Takahara, K. Shibata, and T. Mizoguchi
    • Organizer
      International Microscopy Congress (IMC20), Busan, Korea.
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Database construction and machine learning prediction of site specific carbon K edge core-loss spectra2022

    • Author(s)
      K. Shibata and T. Mizoguchi
    • Organizer
      International Microscopy Congress (IMC20), Busan, Korea.
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Extracting Physics from Database with Systematic DFT Calculations: Intercalation Energies of Layered Intercalation Compounds with Various Ions2022

    • Author(s)
      N. Kawaguchi, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      2023 MRS Fall Meeting & Exhibit, Boston, MA, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of forces and energy based on rotational invariant spherical representations2022

    • Author(s)
      K. Nishio, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      2023 MRS Fall Meeting & Exhibit, Boston, MA, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Design of Intercalant-Induced Function of Layered Intercalation Compounds via DFT Simulation and Machine Learning2022

    • Author(s)
      N. Kawaguchi, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      MRM 2023, Kyoto, Japan
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Exploring Ground State Electronic Structure of materials through ELNES/XANES Spectra or SMILES Strings via machine learning2022

    • Author(s)
      PY. Chen, Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      MRM 2023, Kyoto, Japan
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Message Passing Neural Network for Predicting Dipole Moment Dependent Core Electron Excitation Spectra2022

    • Author(s)
      Kiyou Shibata, Teruyasu Mizoguchi
    • Organizer
      NeurIPS AI4Mat workshop, New Orleans, LA, USA
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Development and application of software for effective crystal interface modeling2022

    • Author(s)
      Xie Yaoshu,柴田基洋,溝口照康
    • Organizer
      日本金属学会秋季シンポジウム, 福岡工業大学,福岡
    • Related Report
      2022 Annual Research Report
  • [Presentation] 非等価な端面組合せに基づく体系的かつ効率的な粒界構造探索2022

    • Author(s)
      畑勇気,Xie Yaoshu,柴田基洋
    • Organizer
      日本金属学会秋季シンポジウム, 福岡工業大学,福岡
    • Related Report
      2022 Annual Research Report
  • [Presentation] 組み合わせ最適化による界面構造の決定2022

    • Author(s)
      溝口照康,畑勇気,Xie Yaoshu,柴田基洋
    • Organizer
      日本セラミックス協会第35回秋季シンポジウム, 徳島大学,徳島
    • Related Report
      2022 Annual Research Report
  • [Presentation] 第一原理計算を用いた層間化合物の安定性に関する理解2022

    • Author(s)
      川口直登, 柴田基洋, 溝口照康
    • Organizer
      日本セラミックス協会第35回秋季シンポジウム, 徳島大学
    • Related Report
      2022 Annual Research Report
  • [Presentation] 層間化合物のデータベース構築と安定性に関する理解2022

    • Author(s)
      川口直登, 柴田基洋, 溝口照康
    • Organizer
      第16回 物性科学領域横断研究会, online
    • Related Report
      2022 Annual Research Report
  • [Presentation] 機械学習を活用した構造機能相関およびスペクトル機能相関の解析2022

    • Author(s)
      溝口照康
    • Organizer
      ダイナミックアライアンス合同分科会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 放射光およびTEMで測定される内殻電子励起スペクトルの情報科学解析2022

    • Author(s)
      溝口照康
    • Organizer
      日本学術振興会R026委員会第8回研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Prediction of materials properties from core-loss spectrum using neural network2022

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Americal Physical Society (APS) Spring Meeting 2022
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Nano-meter scale Observation of Atomistic Vibration in Silicate Glass by Monochromated EELS2021

    • Author(s)
      Kunyen Liao, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      International Conference on Ceramics (ICC)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Simultaneous Assessment of Thickness and Composition of Non-crystalline Silicate Glass by High-speed pixeled detector2021

    • Author(s)
      Katsuaki Nakazawa, K. Mitsuishi, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      International Conference on Ceramics (ICC)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Data-driven Approaches for Materials Characterization:Core-loss Spectroscopy & Surface Adsorption2021

    • Author(s)
      Teruyasu Mizoguchi, Kiyou Shibata, Eiki Suzuki, and Kakeru Kikumasa
    • Organizer
      The 9th International Symposium on Surface Science (ISSS9)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ガラス材料中バイノーダル型相分離過程のSTEM内高温その場観察2021

    • Author(s)
      中澤克昭,三石和貴,安間伸一,柴田基洋,溝口照康
    • Organizer
      日本顕微鏡学会
    • Related Report
      2021 Annual Research Report
  • [Presentation] Measurement of Local Thermal Expansion in Ceramics with Valence EELS2021

    • Author(s)
      Kunyen Liao,柴田基洋,溝口照康
    • Organizer
      日本顕微鏡学会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ニューラルネットワークの感度解析に基づいたELNES/XANES解釈法の開発2021

    • Author(s)
      清原慎,菊政翔,柴田基洋,溝口照康
    • Organizer
      日本顕微鏡学会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ニューラルネットワークによる内殻励起スペクトルからの物性予測2021

    • Author(s)
      柴田基洋,清原慎,菊政翔,溝口照康
    • Organizer
      日本顕微鏡学会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 化学結合についての結合状態データベースの作成と機械学習を用いた結合予測2021

    • Author(s)
      柴田基洋,鈴木叡輝,溝口照康
    • Organizer
      日本金属学会秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 電子エネルギー損失分光法による酸化物セラミック中熱膨張率の局所解析2021

    • Author(s)
      Kunyen Liao,柴田基洋,溝口照康
    • Organizer
      日本金属学会秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 対称傾角粒界データベースの構築と情報科学手法による構造予測の検討2021

    • Author(s)
      畑勇気,Yaoshu Xie,柴田基洋,溝口照康
    • Organizer
      電子材料研究討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 機械学習,第一原理計算および電子顕微鏡を活用した材料の構造・物性解析2021

    • Author(s)
      溝口照康,畑勇気,柴田基洋
    • Organizer
      電子材料研究討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] データ駆動型EELSスペクトル解析2021

    • Author(s)
      溝口照康
    • Organizer
      日本顕微鏡学会学術講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 機械学習を利用したスペクトル解析2021

    • Author(s)
      溝口照康
    • Organizer
      応用物理学会 光波センシング技術研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 第一原理計算と電子顕微鏡,情報科学を用いた物質研究2021

    • Author(s)
      溝口照康
    • Organizer
      東京理科大学特別講義
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 機械学習を活用した機能コア解析2021

    • Author(s)
      溝口照康
    • Organizer
      第15回物性科学領域横断研究会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] EELSの基礎と解釈2021

    • Author(s)
      溝口照康
    • Organizer
      分析電子顕微鏡研究討論会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] In-situ STEM observation of heterogeneous structure in glass and ionic liquid2021

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      PacificChem 2021
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 機械学習,第一原理計算,ナノ計測を活用した物質の構造解析2021

    • Author(s)
      溝口照康
    • Organizer
      ニューガラスフォーラム
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] スペクトルを記述子とした物性予測2021

    • Author(s)
      溝口照康
    • Organizer
      JST 情報計測 講演会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Vibrational and coordinational structures in glass investigated by STEM-EELS2021

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Online Symposium of Glass Science and Technology
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 結合前の電子状態から結合物性を予測する機械学習モデルの開発2021

    • Author(s)
      鈴木叡輝,柴田基洋,溝口照康
    • Organizer
      日本セラミックス協会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 炭素K端ELNES/XANESを記述子とした分子物性予測2021

    • Author(s)
      菊政翔,清原慎,柴田基洋,溝口照康
    • Organizer
      日本セラミックス協会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Quantitative Prediction of Properties of Organic Molecules from ELNES via Artificial Neural Network2020

    • Author(s)
      Kakeru Kikumasa, Shin Kiyohara, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Microscopy and Microanalysis (M&M) 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Nanometer Scale Observation of Local Network Structure in Aluminosilicate Glass via Vibrational EELS2020

    • Author(s)
      Kunyen Liao, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Microscopy and Microanalysis (M&M) 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of ELNES and quantification of structural properties using artificial neural network2020

    • Author(s)
      Shin Kiyohara, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Microscopy and Microanalysis (M&M) 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Neural Network Approach for Predicting Organic Molecular Properties from Core-Loss Spectroscopy2020

    • Author(s)
      Kakeru Kikumasa, Shin Kiyohara, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Materials Research Society (MRS) Fall meeting 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of Change of DOS Associated with Bond Formation Using Machine Learning2020

    • Author(s)
      Eiki Suzuki, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Materials Research Society (MRS) Fall meeting 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Probing Thermal Expansion Coefficient of SrTiO3 Grain Boundaries by In-Situ STEM-EELS2020

    • Author(s)
      Kunyen Liao, Kiyou Shibata, and T. Mizoguchi
    • Organizer
      Materials Research Society (MRS) Fall meeting 2020
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 機械学習を用いた結合形成に伴う状態密度変化の予測2020

    • Author(s)
      鈴木叡輝,柴田基洋,溝口照康
    • Organizer
      応用物理学会秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 有機分子におけるスペクトル―物性相間2020

    • Author(s)
      菊政翔,清原慎,柴田基洋,溝口照康
    • Organizer
      応用物理学会秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] "Data-Driven Approach for Crystalline Interface and Spectrum"2019

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      3rd Functional Materials Symposium (FMS)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] "データ駆動型XANES解析"2019

    • Author(s)
      溝口照康
    • Organizer
      Photon factory (PF)研究会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Keynote "Bridging atomic-resolution experiment and computation using machine learning"2019

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      Materials Research Meeting (MRM)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] "Machine learning for crystalline interface and core-loss spectrum"2019

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      TSMC-UTokyo workshop
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] "人工知能と第一原理計算による高速・高精度なデータ解析~分光法への応用~"2019

    • Author(s)
      溝口照康
    • Organizer
      化学フェスタ2019
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "第一原理計算計算,透過型電子顕微鏡および機械学習を活用した物質の構造解析"2019

    • Author(s)
      溝口照康
    • Organizer
      JSTインテリジェント計測講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 清原慎,椿真史,溝口照康2019

    • Author(s)
      "機械学習を用いたELNES/XANESスペクトル解析手法の開発"
    • Organizer
      応用物理学会2019年度秋季大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] (基調講演) "機械学習を活用した機能コア解析"2019

    • Author(s)
      溝口照康
    • Organizer
      日本金属学会2019年度秋季大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "ガラスにおける相分離構造の高温その場観察"2019

    • Author(s)
      中澤克昭,安間伸一,溝口照康
    • Organizer
      顕微鏡学会学術講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "第一原理計算および機械学習を用いたELNES/XANES解析"2019

    • Author(s)
      溝口照康
    • Organizer
      顕微鏡学会学術講演会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "Machine learning and DFT simulation for XAFS/EELS"2019

    • Author(s)
      Teruyasu Mizoguchi
    • Organizer
      The 1st Workshop of Reaction Infography (R-ing) Unit,
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] "人工知能技術と量子化学計算を用いたスペクトルからの情報抽出"2019

    • Author(s)
      溝口照康
    • Organizer
      表面真空学会実用顕微評価技術セミナー
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] X線吸収スペクトルの機械学習 (招待講演)2019

    • Author(s)
      池野豪一,宮本直幸
    • Organizer
      第22回XAFS討論会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 「機械学習による X 線吸収スペクトルの新規解析手法」(招待講演)2019

    • Author(s)
      池野豪一
    • Organizer
      日本化学会第100春季年会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] "DFT-CI calculations for RIXS and RIXS-MCD” (invited)2019

    • Author(s)
      H. Ikeno
    • Organizer
      Frontier of theoretical approaches in x-ray spectroscopies
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Book] “ケモインフォマティクスにおけるデータ収集の最適化と解析手法”2023

    • Author(s)
      第2 節 「内殻電子励起スペクトル(ELNES/XANES)の理論計算と機械学習を用いた解析」執筆担当
    • Total Pages
      657
    • Publisher
      技術情報協会
    • ISBN
      9784861049446
    • Related Report
      2022 Annual Research Report
  • [Book] 基礎系 化学 分析化学II:分光分析2020

    • Author(s)
      東京大学工学教程編纂委員会、馬渡 和真
    • Total Pages
      114
    • Publisher
      丸善出版
    • ISBN
      9784621304990
    • Related Report
      2020 Annual Research Report
  • [Book] Machine Learning in Chemistry: The Impact of Artificial Intelligence2020

    • Author(s)
      Teruyasu Mizoguchi
    • Publisher
      Royal Society of Chemistry publication
    • ISBN
      9781788017893
    • Related Report
      2020 Annual Research Report
  • [Remarks] 研究室ホームページ

    • URL

      https://www.edge.iis.u-tokyo.ac.jp/

    • Related Report
      2022 Annual Research Report
  • [Remarks] 東京大学生産技術研究所・ナノ物質設計工学研究室(溝口研究室)ホームページ

    • URL

      http://www.edge.iis.u-tokyo.ac.jp/

    • Related Report
      2021 Annual Research Report
  • [Remarks] 大阪公立大学・工学研究科 計算材料科学研究グループ(池野研究室)ホームページ

    • URL

      http://mtr1.osakafu-u.ac.jp/cms/

    • Related Report
      2021 Annual Research Report 2020 Annual Research Report
  • [Remarks] 東京大学生産技術研究所・ナノ物質設計工学研究室(溝口研究室)ホームページ

    • URL

      http://www.edge.iis.u-tokyo.ac.jp

    • Related Report
      2020 Annual Research Report

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Published: 2019-04-18   Modified: 2025-01-30  

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