Comprehensive analysis of hyper-ordered structures based on mathematics and informatics

• Project Area: Progressive condensed matter physics inspired by hyper-ordered structures
• Project/Area Number: 20H05884
• Research Category: Grant-in-Aid for Transformative Research Areas (A)
• Allocation Type: Single-year Grants
• Review Section: Transformative Research Areas, Section (II)
• Research Institution: Tohoku University (2021-2024); Gifu University (2020)
• Principal Investigator: Shiga Motoki 東北大学, 未踏スケールデータアナリティクスセンター, 教授 (20437263)
• Co-Investigator(Kenkyū-buntansha): 松下 智裕 奈良先端科学技術大学院大学, 先端科学技術研究科, 教授 (10373523) ; 大林 一平 岡山大学, AI・数理データサイエンスセンター, 教授 (30583455) ; 中島 健 島根大学, 学術研究院機能強化推進学系, 助教 (60935401)
• Project Period (FY): 2020-11-19 – 2025-03-31
• Project Status: Completed (Fiscal Year 2024)
• Budget Amount: ¥98,670,000 (Direct Cost: ¥75,900,000、Indirect Cost: ¥22,770,000); Fiscal Year 2024: ¥16,380,000 (Direct Cost: ¥12,600,000、Indirect Cost: ¥3,780,000); Fiscal Year 2023: ¥22,490,000 (Direct Cost: ¥17,300,000、Indirect Cost: ¥5,190,000); Fiscal Year 2022: ¥19,110,000 (Direct Cost: ¥14,700,000、Indirect Cost: ¥4,410,000); Fiscal Year 2021: ¥14,560,000 (Direct Cost: ¥11,200,000、Indirect Cost: ¥3,360,000); Fiscal Year 2020: ¥26,130,000 (Direct Cost: ¥20,100,000、Indirect Cost: ¥6,030,000)
• Keywords: マテリアルズ・インフォマティクス / 機械学習 / 原子像再生 / 位相的データ解析 / 材料情報学

Outline of Research at the Start

超秩序構造を持つ材料の原子配列推定、構造秩序の記述法、物性予測法の開発を通じて、効率的な材料設計・合成に寄与する技術の確立を目指す。原子配列推定のために、原子分解能ホログラム等の計測データから機械学習に基づく高精度推定法を開発する。そして、原子配列から超秩序構造を記述する手法を幾何学の数理基盤技術に基づき開発する。また、物質の構造・物性・合成データを整備し、機械学習に基づく超秩序構造から物性の予測モデルの構築、物質設計や合成プロセスの効率化手法を開発する。

Outline of Final Research Achievements

We have promoted research focusing on the development of techniques for analyzing "hyper-ordered structures" using applied mathematical theory in order to identify atomic configurations of hyper-ordered structures and to numerically describe them that contribute to material designs. We achieved research results on the following three subjects. Subject 1) Development of precise and efficient estimation methods of atomic configurations in hyper-ordered structures from cutting-edge structural measurement techniques. Subject 2) Development of descriptors for hyper-ordered structures based on applied mathematics and estimation of relationships between hyper-ordered structures and material properties. Subject 3) Investigation of machine learning techniques for efficient materials designs based on techniques developed in two subjects above.

Academic Significance and Societal Importance of the Research Achievements

構造計測データ解析に関する研究成果は、ドーパントを含む材料やガラス材料の超秩序構造解析に有効なことが示されており、これらを代表とする様々な材料の構造同定や物性の起源を解明する学術研究や材料開発に寄与するものである。また、超秩序構造の記述法に関する研究成果は、構造秩序を新たな視点から解析するためのものであり、超秩序構造を含む様々な材料の定量的な比較や物性の正確な予測等の解析に寄与できるものである。本課題で開発されたデータ解析法の一部はプログラムのライブラリやソフトウェアとして公開されており、これらはアカデミックおよび産業界の研究開発に広く貢献できるものと考えられる。

Research Products

• [Int'l Joint Research] University of Bath(英国)
• [Int'l Joint Research] Oak Ridge National Laboratory(米国)
• [Int'l Joint Research] University of Bath/Rutherford Appleton Laboratory(英国)
• [Int'l Joint Research] University of Bath/Rutherford Appleton Laboratory(英国)
• [Int'l Joint Research] University of Bath/Rutherford Appleton Laboratory(英国)
• [Int'l Joint Research] Institut Laue-Langevin(フランス)
• [Int'l Joint Research] Oak Ridge National Laboratory(米国)
• [Journal Article] Local-structure insight into the improved superconducting properties of Pb-substituted La(O, F)BiS2: a photoelectron holography study (2025)
  • Author(s): Li YaJun、Hashimoto Yusuke、Kataoka Noriyuki、Sun Zexu、Kawamura Sota、Tomita Hiroto、Setoguchi Taro、Takeuchi Soichiro、Koga Shunjo、Yamagami Kohei、Kotani Yoshinori、Demura Satoshi、Noguchi Kanako、Sakata Hideaki、Matsushita Tomohiro、Wakita Takanori、Muraoka Yuji、Yokoya Takayoshi
  • Journal Title: Scientific Reports Volume: 15 Issue: 1 Pages: 8366-8366
  • DOI: 10.1038/s41598-025-86233-2
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Unravelling the density-driven modification of the topology generated by the interconnection of SiO₄ tetrahedra in silica polymorphs (2024)
  • Author(s): Kohara Shinji、Sato Shuya、Shiga Motoki、Onodera Yohei、Masai Hirokazu、Wakihara Toru、Masuno Atsunobu、Hirata Akihiko、Kitamura Naoto、Idemoto Yasushi、Kimura Koji、Hayashi Koichi
  • Journal Title: Journal of the Ceramic Society of Japan Volume: 132 Issue: 12 Pages: 653-662
  • DOI: 10.2109/jcersj2.24093
  • ISSN: 1348-6535, 1882-0743
  • Year and Date: 2024-12-01
  • Peer Reviewed / Open Access
• [Journal Article] Recent advances in atomic resolution three-dimensional holography (2024)
  • Author(s): Daimon Hiroshi、Matsushita Tomohiro、Matsui Fumihiko、Hayashi Koichi、Wakabayashi Yusuke
  • Journal Title: Advances in Physics: X Volume: 9 Issue: 1 Pages: 1-29
  • DOI: 10.1080/23746149.2024.2350161
  • Peer Reviewed / Open Access
• [Journal Article] Nearly close-packed atomic arrangements in BaTi2O5 glass (2024)
  • Author(s): Inoue Hiroyuki、Masuno Atsunobu、Shiga Motoki、Watanabe Yasuhiro
  • Journal Title: Scripta Materialia Volume: 252 Pages: 116271-116271
  • DOI: 10.1016/j.scriptamat.2024.116271
  • Peer Reviewed / Open Access
• [Journal Article] Relationship between network topology and negative electrode properties in Wadsley?Roth phase TiNb2O7 (2024)
  • Author(s): Kitamura Naoto、Matsubara Hikari、Kimura Koji、Obayashi Ippei、Onodera Yohei、Nakashima Ken、Morita Hidetoshi、Shiga Motoki、Harada Yasuhiro、Ishibashi Chiaki、Idemoto Yasushi、Hayashi Koichi
  • Journal Title: NPG Asia Materials Volume: 16 Issue: 1 Pages: 62-62
  • DOI: 10.1038/s41427-024-00581-5
  • Peer Reviewed / Open Access
• [Journal Article] Schematic Structural Analysis of Honeycomb Structure Ultrathin Ce-Ti-O Films on Pt(111) Using Photoelectron Holography and Ab Initio Calculation (2024)
  • Author(s): Li Xu、Yamada Shougo、Yamada Yuya、Yoshida Momoko、Hashimoto Yusuke、Matsushita Tomohiro、Ma Weiliang、Gaudry Emilie、Yuhara Junji
  • Journal Title: The Journal of Physical Chemistry C Volume: 128 Issue: 47 Pages: 20238-20243
  • DOI: 10.1021/acs.jpcc.4c05269
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] High-resolution electron energy analyzer with wide acceptance angle for hard X-ray photoelectron holography: integrating PESCATORA and retarding field analyzer (2024)
  • Author(s): Hashimoto Yusuke、Mizuno Jun、Matsuda Hiroyuki、Matsui Fumihiko、Matsushita Tomohiro
  • Journal Title: Japanese Journal of Applied Physics Volume: 63 Issue: 12 Pages: 124001-124001
  • DOI: 10.35848/1347-4065/ad9447
  • Peer Reviewed / Open Access
• [Journal Article] Atomic and Electronic Structure in MgO-SiO₂ (2024)
  • Author(s): Yuta Shuseki, Shinji Kohara, Tomoaki Kaneko, Keitaro Sodeyama, Yohei Onodera, Chihiro Koyama, Atsunobu Masuno, Shunta Sasaki, Shohei Hatano, Motoki Shiga, Ippei Obayashi, Yasuaki Hiraoka, Junpei T. Okada, Akitoshi Mizuno et al.
  • Journal Title: The Journal of Physical Chemistry A Volume: 128 Issue: 4 Pages: 716-726
  • DOI: 10.1021/acs.jpca.3c05561
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Single Crystal Growth with Flux Method and Local Structure Analysis around Fe Using X-ray Fluorescence Holography for Multiferroic Pb(Fe_1/2Ta_1/2)O₃ (2023)
  • Author(s): Inoue Yuto、Kimura Koji、Maruyama Masato、Happo Naohisa、Asaka Toru、Iwata Makoto、Matsushita Tomohiro、Hayashi Koichi
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 21 Issue: 4 Pages: 278-283
  • DOI: 10.1380/ejssnt.2023-048
  • ISSN: 1348-0391
  • Year and Date: 2023-05-27
  • Peer Reviewed / Open Access
• [Journal Article] An Algorithm to Correct the Sensitivity Distribution of a Retarding Field Analyzer for Photoelectron Holography (2023)
  • Author(s): Matsushita Tomohiro、Hashimoto Yusuke、Tomita Hiroto、Sun Zexu、Kawamura Sota、Fujii Mami N.、Mizuno Jun
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 21 Issue: 3 Pages: 183-187
  • DOI: 10.1380/ejssnt.2023-027
  • ISSN: 1348-0391
  • Year and Date: 2023-03-25
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Ring compaction as a mechanism of densification in amorphous silica (2023)
  • Author(s): Salmon Philip S.、Zeidler Anita、Shiga Motoki、Onodera Yohei、Kohara Shinji
  • Journal Title: Physical Review B Volume: 107 Issue: 14 Pages: 144203-144203
  • DOI: 10.1103/physrevb.107.144203
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Effects of Oxygen on Lattice Defects in Single-Crystalline Mg2Si Thermoelectrics (2023)
  • Author(s): Hayashi Kei、Kawamura Sota、Hashimoto Yusuke、Akao Noboru、Huang Zhicheng、Saito Wataru、Tasaki Kaichi、Hayashi Koichi、Matsushita Tomohiro、Miyazaki Yuzuru
  • Journal Title: Nanomaterials Volume: 13 Issue: 7 Pages: 1222-1222
  • DOI: 10.3390/nano13071222
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Stable Volumes for Persistent Homology (2023)
  • Author(s): Ippei Obayashi
  • Journal Title: Journal of Applied and Computational Topology Volume: 7 Issue: 4 Pages: 671-706
  • DOI: 10.1007/s41468-023-00119-8
  • Peer Reviewed / Open Access
• [Journal Article] Origin of unexpected Ir3+ in superconducting candidate Sr2IrO4 analyzed by photoelectron holography (2023)
  • Author(s): R. Horie, T. Matsushita, S. Kawamura, T. Hase K. Horigane, H. Momono, S. Takeuchi, H. Tomita, Y. Hashimoto, K. Kobayashi, Y. Haruyama, H. Daimon, Y. Morikawa, M. Taguchi, J. Akimitsu
  • Journal Title: Inorganic Chemistry Volume: 62 Issue: 28 Pages: 10897-10904
  • DOI: 10.1021/acs.inorgchem.2c03788
  • Peer Reviewed
• [Journal Article] Persistent homology-based descriptor for machine-learning potential of amorphous structures (2023)
  • Author(s): Minamitani Emi、Obayashi Ippei、Shimizu Koji、Watanabe Satoshi
  • Journal Title: The Journal of Chemical Physics Volume: 159 Issue: 8 Pages: 084101-084101
  • DOI: 10.1063/5.0159349
  • Peer Reviewed / Open Access
• [Journal Article] Approximation by interval-decomposables and interval resolutions of persistence modules (2023)
  • Author(s): Asashiba Hideto、Escolar Emerson G.、Nakashima Ken、Yoshiwaki Michio
  • Journal Title: Journal of Pure and Applied Algebra Volume: 227 Issue: 10 Pages: 107397-107397
  • DOI: 10.1016/j.jpaa.2023.107397
  • Peer Reviewed
• [Journal Article] On approximation of 2D persistence modules by interval-decomposables (2023)
  • Author(s): Asashiba Hideto、Escolar Emerson G.、Nakashima Ken、Yoshiwaki Michio
  • Journal Title: Journal of Computational Algebra Volume: 6-7 Pages: 100007-100007
  • DOI: 10.1016/j.jaca.2023.100007
  • Peer Reviewed / Open Access
• [Journal Article] Photoelectron Holography Study of La(O,F)BiS₂ (2023)
  • Author(s): Li YaJun、Sun ZeXu、Kataoka Noriyuki、Setoguchi Taro、Hashimoto Yusuke、Takeuchi Soichiro、Koga Shunjo、Demura Satoshi、Noguchi Kanako、Sakata Hideaki、Mizuguchi Yoshikazu、Matsushita Tomohiro、Wakita Takanori、Muraoka Yuji、Yokoya Takayoshi
  • Journal Title: Journal of the Physical Society of Japan Volume: 92 Issue: 4 Pages: 044801-044801
  • DOI: 10.7566/jpsj.92.044801
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] SPADExp: A photoemission angular distribution simulator directly linked to first-principles calculations (2023)
  • Author(s): Tanaka Hiroaki、Kuroda Kenta、Matsushita Tomohiro
  • Journal Title: Journal of Electron Spectroscopy and Related Phenomena Volume: 264 Pages: 147297-147297
  • DOI: 10.1016/j.elspec.2023.147297
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Photoelectron holographic evidence for the incorporation site of Se and suppressed atomic displacement of the conducting layer of La(O,F)BiSSe (2023)
  • Author(s): Li YaJun、Sun ZeXu、Kataoka Noriyuki、Setoguchi Taro、Hashimoto Yusuke、Takeuchi Soichiro、Koga Shunjo、Hoshi Kazuhisa、Mizuguchi Yoshikazu、Matsushita Tomohiro、Wakita Takanori、Muraoka Yuji、Yokoya Takayoshi
  • Journal Title: Japanese Journal of Applied Physics Volume: 62 Issue: 12 Pages: 125001-125001
  • DOI: 10.35848/1347-4065/ad079b
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Ring-originated anisotropy of local structural ordering in amorphous and crystalline silicon dioxide (2023)
  • Author(s): Shiga Motoki、Hirata Akihiko、Onodera Yohei、Masai Hirokazu
  • Journal Title: Communications Materials Volume: 4 Issue: 1 Pages: 91-91
  • DOI: 10.1038/s43246-023-00416-w
  • Peer Reviewed / Open Access
• [Journal Article] Development of serial X-ray fluorescence holography for radiation-sensitive protein crystals (2023)
  • Author(s): Ang Artoni Kevin R.、Umena Yasufumi、Sato-Tomita Ayana、Shibayama Naoya、Happo Naohisa、Marumi Riho、Yamamoto Yuta、Kimura Koji、Kawamura Naomi、Takano Yu、Matsushita Tomohiro、Sasaki Yuji C.、Shen Jian-Ren、Hayashi Kouichi
  • Journal Title: Journal of Synchrotron Radiation Volume: 30 Issue: 2 Pages: 368-378
  • DOI: 10.1107/s1600577522011833
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Atomic Imaging of Interface Defects in an Insulating Film on Diamond (2023)
  • Author(s): Fujii Mami N.、Tanaka Masaki、Tsuno Takumi、Hashimoto Yusuke、Tomita Hiroto、Takeuchi Soichiro、Koga Shunjo、Sun Zexu、Enriquez John Isaac、Morikawa Yoshitada、Mizuno Jun、Uenuma Mutsunori、Uraoka Yukiharu、Matsushita Tomohiro
  • Journal Title: Nano Letters Volume: 23 Issue: 4 Pages: 1189-1194
  • DOI: 10.1021/acs.nanolett.2c04176
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Local structure analysis around Y in Mg99.7Y0.3 single crystal using x-ray fluorescence holography (2023)
  • Author(s): Kato Tatsuya、Kimura Koji、Hosokawa Shinya、Ando Shinji、Kashima Seishi、Hashimoto Yusuke、Happo Naohisa、Matsushita Tomohiro、Ishii Hirofumi、Hayashi Kouichi
  • Journal Title: Journal of Electron Spectroscopy and Related Phenomena Volume: 262 Pages: 147279-147279
  • DOI: 10.1016/j.elspec.2022.147279
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Machine Learning for Low-Count Spectrum Image Data Analysis (2022)
  • Author(s): 志賀 元紀、武藤 俊介
  • Journal Title: KENBIKYO Volume: 57 Issue: 2 Pages: 65-69
  • DOI: 10.11410/kenbikyo.57.2_65
  • ISSN: 1349-0958, 2434-2386
  • Year and Date: 2022-08-30
  • Peer Reviewed / Open Access
• [Journal Article] Local Structure Analysis on Yttria-Stabilized Zirconia by X-ray Fluorescence Holography (2022)
  • Author(s): Happo Naohisa、Hayashi Kouichi、Matsushita Tomohiro、Hosokawa Shinya
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 20 Issue: 1 Pages: 51-57
  • DOI: 10.1380/ejssnt.2022-006
  • NAID: 130008161066
  • ISSN: 1348-0391
  • Year and Date: 2022-02-17
  • Peer Reviewed / Open Access
• [Journal Article] Three-dimensional Atomic Image of FeSe High-temperature Superconductor by X-ray Fluorescence Holography (2022)
  • Author(s): Hosokawa Shinya、Happo Naohisa、Hayashi Kouichi、Matsushita Tomohiro、Yamashita Aichi
  • Journal Title: e-Journal of Surface Science and Nanotechnology Volume: 20 Issue: 1 Pages: 36-41
  • DOI: 10.1380/ejssnt.2022-001
  • NAID: 130008145707
  • ISSN: 1348-0391
  • Year and Date: 2022-01-29
  • Peer Reviewed / Open Access
• [Journal Article] High-precision atomic image reconstruction from photoelectron hologram of O on W(110) by SPEA-L1 (2022)
  • Author(s): Takeuchi Soichiro、Hashimoto Yusuke、Daimon Hiroshi、Matsushita Tomohiro
  • Journal Title: Journal of Electron Spectroscopy and Related Phenomena Volume: 256 Pages: 147177-147177
  • DOI: 10.1016/j.elspec.2022.147177
  • Peer Reviewed
• [Journal Article] Persistent Homology Analysis for Materials Research and Persistent Homology Software: HomCloud (2022)
  • Author(s): Obayashi Ippei、Nakamura Takenobu、Hiraoka Yasuaki
  • Journal Title: Journal of the Physical Society of Japan Volume: 91 Issue: 9 Pages: 091013-091013
  • DOI: 10.7566/jpsj.91.091013
  • Peer Reviewed / Open Access
• [Journal Article] Topological descriptor of thermal conductivity in amorphous Si (2022)
  • Author(s): Minamitani Emi、Shiga Takuma、Kashiwagi Makoto、Obayashi Ippei
  • Journal Title: The Journal of Chemical Physics Volume: 156 Issue: 24 Pages: 244502-244502
  • DOI: 10.1063/5.0093441
  • Peer Reviewed / Open Access
• [Journal Article] Atomic structure analysis of gallium oxide at the Al2O3/GaN interface using photoelectron holography (2022)
  • Author(s): Uenuma Mutsunori、Kuwaharada Shingo、Tomita Hiroto、Tanaka Masaki、Sun Zexu、Hashimoto Yusuke、Fujii Mami N.、Matsushita Tomohiro、Uraoka Yukiharu
  • Journal Title: Applied Physics Express Volume: 15 Issue: 8 Pages: 085501-085501
  • DOI: 10.35848/1882-0786/ac7dd9
  • Peer Reviewed
• [Journal Article] Incorporation Site and Valence State of Sn Atoms in Sn-Substituted La(O,F)BiS₂ Superconductor (2022)
  • Author(s): Li YaJun、Sun ZeXu、Kataoka Noriyuki、Setoguchi Taro、Hashimoto Yusuke、Takeuchi Soichiro、Koga Shunjo、Muro Takayuki、Demura Satoshi、Noguchi Kanako、Sakata Hideaki、Matsushita Tomohiro、Kawasaki Ikuto、Fujimori Shin-ichi、Wakita Takanori、Muraoka Yuji、Yokoya Takayoshi
  • Journal Title: Journal of the Physical Society of Japan Volume: 91 Issue: 5 Pages: 054602-054602
  • DOI: 10.7566/jpsj.91.054602
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Local structure analysis of disordered materials via contrast variation in scanning transmission electron microscopy (2022)
  • Author(s): Kimoto Koji、Shiga Motoki、Kohara Shinji、Kikkawa Jun、Cretu Ovidiu、Onodera Yohei、Ishizuka Kazuo
  • Journal Title: AIP Advances Volume: 12 Issue: 9 Pages: 095219-095219
  • DOI: 10.1063/5.0104798
  • Peer Reviewed / Open Access
• [Journal Article] X-ray fluorescence holography of biological metal sites: Application to myoglobin (2022)
  • Author(s): Sato-Tomita Ayana、Ang Artoni Kevin R.、Kimura Koji、Marumi Riho、Happo Naohisa、Matsushita Tomohiro、Park Sam-Yong、Shibayama Naoya、Sasaki Yuji C.、Hayashi Kouichi
  • Journal Title: Biochemical and Biophysical Research Communications Volume: 635 Pages: 277-282
  • DOI: 10.1016/j.bbrc.2022.10.003
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Direct Observation of Atomic Structures and Chemical States of Active and Inactive Dopant Sites in Mg-Doped GaN (2022)
  • Author(s): Tang Jingmin、Takeuchi Soichiro、Tanaka Masaki、Tomita Hiroto、Hashimoto Yusuke、Nagata Takahiro、Chen Jun、Ohkochi Takuo、Kotani Yoshinori、Matsushita Tomohiro、Yamashita Yoshiyuki
  • Journal Title: ACS Applied Electronic Materials Volume: 4 Issue: 9 Pages: 4719-4723
  • DOI: 10.1021/acsaelm.2c00912
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Persistent homology analysis with nonnegative matrix factorization for 3D voxel data of iron ore sinters (2022)
  • Author(s): Obayashi Ippei、Kimura Masao
  • Journal Title: JSIAM Letters Volume: 14 Issue: 0 Pages: 151-154
  • DOI: 10.14495/jsiaml.14.151
  • ISSN: 1883-0609, 1883-0617
  • Peer Reviewed / Open Access
• [Journal Article] Relationship between local coordinates and thermal conductivity in amorphous carbon (2022)
  • Author(s): Minamitani Emi、Shiga Takuma、Kashiwagi Makoto、Obayashi Ippei
  • Journal Title: Journal of Vacuum Science & Technology A Volume: 40 Issue: 3 Pages: 033408-033408
  • DOI: 10.1116/6.0001744
  • Peer Reviewed / Open Access
• [Journal Article] Accelerated Discovery of Proton-Conducting Perovskite Oxide by Capturing Physicochemical Fundamentals of Hydration (2021)
  • Author(s): Hyodo Junji、Tsujikawa Kota、Shiga Motoki、Okuyama Yuji、Yamazaki Yoshihiro
  • Journal Title: ACS Energy Letters Volume: 6 Issue: 8 Pages: 2985-2992
  • DOI: 10.1021/acsenergylett.1c01239
  • Peer Reviewed
• [Journal Article] 機械学習を用いたペロブスカイト酸化物におけるプロトン濃度の予測精度の評価 (2021)
  • Author(s): 辻川皓太, 兵頭潤次, 志賀元紀, 奥山勇治, 山崎仁丈
  • Journal Title: 燃料電池 Volume: 20 Pages: 75-86
  • NAID: 40022579543
  • 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: 7 Pages: 434-442
  • Peer Reviewed
• [Journal Article] Flow estimation solely from image data through persistent homology analysis (2021)
  • Author(s): Suzuki Anna、Miyazawa Miyuki、Minto James M.、Tsuji Takeshi、Obayashi Ippei、Hiraoka Yasuaki、Ito Takatoshi
  • Journal Title: Scientific Reports Volume: 11 Issue: 1 Pages: 17948-17948
  • DOI: 10.1038/s41598-021-97222-6
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Relationship between diffraction peak, network topology, and amorphous-forming ability in silicon and silica (2021)
  • Author(s): Kohara Shinji、Shiga Motoki、Onodera Yohei、Masai Hirokazu、Hirata Akihiko、Murakami Motohiko、Morishita Tetsuya、Kimura Koji、Hayashi Kouichi
  • Journal Title: Scientific Reports Volume: 11 Issue: 1 Pages: 22180-22180
  • DOI: 10.1038/s41598-021-00965-5
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Element-selective local structural analysis around B-site cations in multiferroic Pb(Fe1/2Nb1/2 )O3 using x-ray fluorescence holography (2021)
  • Author(s): Kimura K.、Urushihara D.、Kondo R.、Yamamoto Y.、Ang A. K. R.、Asaka T.、Happo N.、Hagihara T.、Matsushita T.、Tajiri H.、Miyazaki H.、Ohara K.、Iwata M.、Hayashi K.
  • Journal Title: Physical Review B Volume: 104 Issue: 14 Pages: 144101-144101
  • DOI: 10.1103/physrevb.104.144101
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structure and properties of densified silica glass: characterizing the order within disorder (2020)
  • Author(s): Y. Onodera, S. Kohara, P. S. Salmon, A. Hirata, N. Nishiyama, S. Kitani, A. Zeidler, M. Shiga, A. Masuno, H. Inoue, et al.
  • Journal Title: NPG Asia Materials Volume: 12 Issue: 1 Pages: 85-85
  • DOI: 10.1038/s41427-020-00262-z
  • NAID: 120006950593
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Presentation] 材料開発と計測データ解析における機械学習の活用 (2025)
  • Author(s): 志賀元紀
  • Organizer: 日本セラミックス協会2025年年会
  • Invited
• [Presentation] Connected Persistence Diagrams -From Theoretical Development to Practical Applications- (2025)
  • Author(s): 中島健
  • Organizer: 位相的データ解析と表現論2025
  • Invited
• [Presentation] 光電子ホログラフィーによるドーパントや薄膜界面欠陥の立体原子配列の観測 (2024)
  • Author(s): 松下智裕
  • Organizer: 第7回MIRCフォーラム
  • Invited
• [Presentation] 光電子ホログラフィーによるドーパントと薄膜界面欠陥の立体原子配列の観測 (2024)
  • Author(s): 松下智裕
  • Organizer: 第987回分子研コロキウム
  • Invited
• [Presentation] 物質・材料の計測データ解析のための機械学習 (2024)
  • Author(s): 志賀元紀
  • Organizer: 日本セラミックス協会 プレミアム講演会
  • Invited
• [Presentation] ガラス材料に潜む構造秩序の定量解析法 (2024)
  • Author(s): 志賀元紀
  • Organizer: 第20回ガラス技術シンポジウム（GIC20）（第65回ガラスおよびフォトニクス材料討論会）
  • Invited
• [Presentation] 物質・材料の構造解析のためのデータ科学技術 (2024)
  • Author(s): 志賀元紀
  • Organizer: 2024年度電気化学会九州支部シンポジウム（第63回工業物理化学講習会）「DX・先端技術を活用した研究開発」
  • Invited
• [Presentation] パーシステントホモロジーによるデータ解析：理論・ソフトウェア・材料科学データへの応用 (2024)
  • Author(s): 大林一平
  • Organizer: データサイエンスと生命医科学研究のフロンティア
  • Invited
• [Presentation] A data analysis framework with linear models and persistent homology (2023)
  • Author(s): Ippei Obayashi
  • Organizer: TDA Week 2023
  • Int'l Joint Research / Invited
• [Presentation] 光電子とデータ科学 (2023)
  • Author(s): 松下智裕
  • Organizer: 明日の放射光光電子分光研究展開のシーズとニーズ
  • Invited
• [Presentation] Photoelectron holography with atomic resolution (2023)
  • Author(s): Tomohiro Matsushita
  • Organizer: ICESS15
  • Int'l Joint Research / Invited
• [Presentation] Material structure analysis based on machine learning (2023)
  • Author(s): Motoki Shiga
  • Organizer: The 9th CWRU x Tohoku Joint Workshop
  • Int'l Joint Research / Invited
• [Presentation] 光電子ホログラフィーによるダイヤモンドデバイスの不純物及び、界面欠陥の原子配列の観測 (2023)
  • Author(s): 松下智裕
  • Organizer: 第10回電子デバイスフォーラム京都
  • Invited
• [Presentation] 光電子ホログラフィーとスパースモデリングによる 不純物の原子配列の可視化 (2023)
  • Author(s): 松下智裕
  • Organizer: 兵庫県マテリアルズ・インフォマティクス講演会（第9回）
  • Invited
• [Presentation] 超秩序構造科学における構造解析ソフトウェアの開発 (2023)
  • Author(s): 森田秀利, 志賀元紀
  • Organizer: 原子分解能ホログラフィー・不規則系機能性材料合同研究会
  • Invited
• [Presentation] パーシステントホモロジーによるデータ解析 - 理論，応用，ソフトウェア． (2022)
  • Author(s): 大林一平
  • Organizer: JST数学関連3領域連携WS「情報科学と拓く新しい数理科学」．
  • Invited
• [Presentation] 光電子ホログラフィとスパースモデリングによる ドーパントの立体原子配列の観測, (2022)
  • Author(s): 松下智裕
  • Organizer: CREST・さきがけ複合領域「情報計測」クラスター会議
  • Invited
• [Presentation] 微細構造計測データ解析のための統計的機械学習 (2022)
  • Author(s): 志賀元紀
  • Organizer: 第37回分析電子顕微鏡討論会
  • Invited
• [Presentation] 微細構造計測におけるデータ解析手法の開発および異分野間の連携 (2022)
  • Author(s): 志賀元紀
  • Organizer: 日本学術振興会R026先端計測技術の将来設計委員会 第11回研究会
  • Invited
• [Presentation] 3D Data Analysis of X-Ray CT Images with Persistent Homology and Nonnegative Matrix Factorization (2022)
  • Author(s): Ippei Obayashi
  • Organizer: Perspectives on Artificial Intelligence and Machine Learning in Materials Science
  • Invited
• [Presentation] Stable volumes for persistent homology (2022)
  • Author(s): Ippei Obayashi
  • Organizer: TDA Week
  • Invited
• [Presentation] 理論・実験・情報科学の融合によるガラスの構造秩序解析 (2022)
  • Author(s): 志賀元紀
  • Organizer: 第35回日本放射光学会年会
  • Invited
• [Presentation] 物質構造解析のためのインフォマティクス技術 (2022)
  • Author(s): 志賀元紀
  • Organizer: 第69回応用物理学会春季学術講演会
  • Invited
• [Presentation] Stable volumes for persistent homology (2022)
  • Author(s): Ippei Obayashi
  • Organizer: AATRN Seminar Series
  • Int'l Joint Research / Invited
• [Presentation] 超秩序構造科学のための機械学習 (2021)
  • Author(s): 志賀元紀
  • Organizer: 科研費・学術変革 (A) 「超秩序構造科学」第１回若手の学校
  • Invited
• [Presentation] 微細構造計測データ解析のための統計的機械学 (2021)
  • Author(s): 志賀元紀
  • Organizer: 近畿化学協会コンピュータ化学部会 公開講演会（第110回例会）
  • Invited
• [Presentation] Intermediate-Range Ordering in Glassy Materials Revealed by Statistical Analysis of Ring Characterizations (2021)
  • Author(s): Motoki Shiga
  • Organizer: The 2nd International Workshop on Hyper-Ordered Structures
  • Int'l Joint Research / Invited
• [Presentation] スペクトルイメージング解析のための統計的機械学習 (2021)
  • Author(s): 志賀元紀
  • Organizer: 第6回兵庫県マテリアルズ・インフォマティクス講演会
  • Invited
• [Presentation] A Framework for Machine Learning with Persistent Homology (2021)
  • Author(s): Ippei Obayashi
  • Organizer: POSTECH MINDS Seminar Series on Data Science, Machine Learning and Scientific Computing
  • Int'l Joint Research / Invited
• [Presentation] Stable volumes for persistent homology (2021)
  • Author(s): Ippei Obayashi
  • Organizer: Thematic Einstein Semester on Geometric and Topological Structure of Materials
  • Int'l Joint Research / Invited
• [Presentation] Volume-optima cycles and stable volumes for persistent homology (2021)
  • Author(s): 大林一平
  • Organizer: RIMS 共同研究 一般位相幾何学の動向と諸分野との連携
  • Invited
• [Presentation] パーシステントホモロジーによる材料科学データ解析 (2021)
  • Author(s): 大林一平
  • Organizer: 第99回千葉地域活動高分子交流講演会
  • Invited
• [Presentation] パーシステントホモロジーによるデータ解析の基本と材料科学への応用 (2021)
  • Author(s): 大林一平
  • Organizer: 第52回ガラス部会夏季若手セミナー
  • Invited
• [Presentation] Persistent homology: a descriptor of the shape of data. (2021)
  • Author(s): Ippei Obayashi
  • Organizer: RIMS Workshop Mathematical methods for the studies of flow, shape, and dynamics
  • Invited
• [Presentation] 阻止電場型電子エネルギー分析器と光電子ホログラフィー (2021)
  • Author(s): 松下智裕
  • Organizer: 2021年日本表面真空学会
  • Invited
• [Presentation] 原子分解能ホログラフィーのスパースモデリング (2021)
  • Author(s): 松下智裕
  • Organizer: 顕微鏡計測インフォマティックス研究会
  • Invited
• [Presentation] L1正則化を用いた光電子ホログラフィーによる原子配列解析 (2021)
  • Author(s): 松下智裕
  • Organizer: 第71回SPring-8先端利用技術ワークショップ/「第3回データ駆動科学によるデータ解析高度化」
  • Invited
• [Presentation] 微細構造計測データ解析のための統計的機械学習 (2021)
  • Author(s): 志賀元紀
  • Organizer: 第12回材料系ワークショップ -マテリアルズインフォマティクスにおける「富岳」の活用に向けて-
  • Invited
• [Presentation] スペクトルイメージング解析のための統計的機械学習 (2021)
  • Author(s): 志賀元紀
  • Organizer: 日本鉄鋼協会 材料の組織と特性部会 若手フォーラム 第4回研究会
  • Invited
• [Presentation] 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 (2021)
  • Author(s): 志賀元紀
  • Organizer: 顕微鏡計測インフォマティックス研究部会第2回研究会
  • Invited
• [Presentation] 化学結合トポロジーに基づくガラス構造の秩序解析 (2021)
  • Author(s): 志賀元紀
  • Organizer: 日本物理学会第76回年次大会
  • Invited
• [Book] ”Atomic-Resolution Holography”, p.33-92 (Hyperordered Structures in Materials - Disorder in Order and Order within Disorder-) (2023)
  • Author(s): Tomohiro Matsushita, Koji Kimura, Kenji Ohoyama
  • Total Pages: 60
  • Publisher: Springer Nature
• [Book] ”Structural-Order Analysis Based on Applied Mathematics”, p.265-288 (Hyperordered Structures in Materials - Disorder in Order and Order within Disorder-) (2023)
  • Author(s): Motoki Shiga, Ippei Obayashi
  • Total Pages: 24
  • Publisher: Springer Nature
• [Book] ”Machine Learning”, p.289-310 (Hyperordered Structures in Materials - Disorder in Order and Order within Disorder-) (2023)
  • Author(s): Motoki Shiga, Satoshi Watanabe
  • Total Pages: 22
  • Publisher: Springer Nature