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Affiliation Department |
物理工学科 応用物理分野
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OGATA Shuji
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Research Areas
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Nanotechnology/Materials / Structural materials and functional materials
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Natural Science / Mathematical physics and fundamental theory of condensed matter physics
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Nanotechnology/Materials / Nanomaterials
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Nanotechnology/Materials / Composite materials and interfaces
From School
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The University of Tokyo Faculty of Science Department of Physics Graduated
1982.04 - 1986.03
Country：Japan
From Graduate School
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The University of Tokyo Graduate School, Division of Science Doctor's Course Completed
1986.04 - 1991.03
Country：Japan
External Career
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National Institute for Fusion Science Joint Professor
2010.04 - 2012.03
Country：Japan
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Yamaguchi University Faculty of Engineering Associate Professor
1995.04 - 2003.06
Country：Japan
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The University of Tokyo Faculty of Sciences Special researcher of the Japan Society for the Promotion of Science
1991.04 - 1993.03
Country：Japan
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The University of Tokyo Faculty of Sciences Assistant Professor
1993.04 - 1995.03
Country：Japan
Professional Memberships
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日本化学会
2021.09
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応用物理学会
2020.08
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公益財団法人 科学技術交流財団 スパコンものづくり研究会 座長
2014.04 - 2016.03
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次世代スパコン戦略プログラム 分野２ 計算物質科学イニシアティブ 戦略課題小委員会委員
2010.02 - 2020.03
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日本機械学会
2009.11 - 2016.03
Research Career
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JSPS プロトン化の第一原理計算で解明する水分による構造用接着剤－金属間の接着力低下
Grant-in-Aid for Scientific Research
Project Year： 2023.04
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JSPS 固液界面での化学反応を加速するシミュレーション法の開発
Grant-in-Aid for Scientific Research
Project Year： 2020.04 - 2023.03
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MEXT スパコン富岳 成果創出加速プログラム「ポリマー／金属接着界面の強度と劣化」
Grants and Funding
Project Year： 2020.04 - 2023.03
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JGGE 誘電体材料のマルチスケールシミュレーション
The Other Research Programs
Project Year： 2019.10
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NEDO "Super-fast development of super-materials"
Funded Research
Project Year： 2016.10 - 2021.04
Papers
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Design and Mechanistic Insights into α‑Helical p‑Terphenyl Guanidines as Potent Small-Molecule Antifreeze Agents Reviewed International coauthorship
Putri Nur Arina Mohd Ariff, Daniel M. Sedgwick, Kenta Iwasawa, Tatsuki Kiyono, Yuji Sumii, Ryoya Ikuta, Masayuki Uranagase, Hidehisa Kawahara, Santos Fustero, Shuji Ogata, and Norio Shibata
Journal of the American Chemical Society 146 26435 - 26441 2024.09
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1021/jacs.4c09389
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Parameterization of a phase field model for ferroelectrics from molecular dynamics data Reviewed International coauthorship
Dilshod Durdiev, Frank Wendler, Michael Zaiser, Hikaru Azuma, Takahiro Tsuzuki, Shuji Ogata, Tomohiro Ogawa, Ryo Kobayashi, Masayuki Uranagase
Acta Materialia 283 120513-1 - 120513-14 2024.11
Language：English Publishing type：Research paper (scientific journal)
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Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations Reviewed International coauthorship
Dilshod Durdiev, Michael Zaiser, Frank Wendler, Takahiro Tsuzuki, Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, and Masayuki Uranagase
Applied Physics Letters 124 132901-1 - 132901-5 2024.03
Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1063/5.0187476
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Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation using Machine-Learning Potential through Active Learning Invited Reviewed International coauthorship
Genki Deguch, Ryo Kobayashi, Hikaru Azuma, Shuji Ogata, Masayuki Uranagase, and Samuele Spreafico
Physica Status Solidi - Rapid Research Letters 2300292-1 - 2300292-10 2023.09
Language：English Publishing type：Research paper (scientific journal)
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Tuning Ferroelectric Properties of Barium Titanate by Lateral Strain: A Molecular Dynamics Simulation Study Invited Reviewed International coauthorship
Hikaru Azuma, Seiya Shimoi, Takahiro Tsuzuki, Ryo Kobayashi, Masayuki Uranagase, Genki Deguchi, Frank Wendler, Dilshod Durdiev, and Shuji Ogata
Physica Status Solidi-Rapid Research Letters 2300290-1 - 2300290-7 2023.09
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
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Erratum to Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-shift Method Reviewed
Shuji Ogata and Masayuki Uranagase
J. Phys. Chem. B 127 6833 - 6834 2023.07
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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Probing Collective Terahertz Vibrations of hydrogen-bonded water network at buried electrochemical Interfaces Reviewed
Taichi Isogai, Masayuki Urangase, Kenta Motobayashi, Shuji Ogata, and Katsuyoshi Ikeda
Chem. Sci. 14 6531 - 6537 2023.05
Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1039/d3sc01734f
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Protonation of Strained Epoxy Resin Under Wet Conditions via First-Principles Calculations using the H+-shift Method Reviewed
Shuji Ogata and Masayuki Uranagase
J. Phys. Chem. B 127 2629 - 2638 2023.03
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations Reviewed International coauthorship
Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase,Takahiro Tsuzuki, Dilshod Durdiev, and Frank Wendler
J. Appl.Phys. 133 104101-1 - 104101-9 2023.03
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1063/5.0138489
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Pressure-assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid QM-CL simulations Reviewed
Sota Hayashi, Naoki Uemura, Masayuki Uranagase, and Shuji Ogata
J. Comput. Chem. 44 766 - 776 2023.03
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
DOI： 10.1002/jcc.27039
Books and Other Publications
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Multiscale Simulations for Electrochemical Devices
Nobuko Ohba and Shuji Ogata（ Role： Joint author）
Jenny Stanford Pub. 2020.01 （ ISBN:9789814800716 ）
Responsible for pages：147-194 Language：eng Book type：Scholarly book
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マルチスケール・マルチフィジックス現象の統合シミュレーション
尾形修司（ Role： Sole author）
独立行政法人 科学技術振興機構 2012.03
Language：jpn Book type：Report
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Computational Methods in Large Scale Simulation
-A. Nakano, R.K.Kalia, A. Sharma, P. Vashishta, S. Ogata, and F. Shimojo（ Role： Joint author）
World Scientific 2005.06
Language：eng Book type：Scholarly book
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Handbook of Numerical Analysis: Volume X: Special Volume: Computational Chemistry
Aiichiro Nakano, Timothy J. Campbell, Rajiv K. Kalia, Sanjay Kodiyalam, Shuji Ogata, Fuyuki Shimojo, X. Su, Priya Vashishta（ Role： Joint author）
Elsevier 2003.05
Language：eng Book type：Scholarly book
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基礎物理学
-尾形修司（ Role： Sole author）
朝倉書店 1996.06
Language：jpn Book type：Textbook, survey, introduction
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光量子科学の誕生と未来像-新たな科学技術大系のためのハンドブック
-尾形修司（ Role： Sole author）
科学技術広報財団 1996.04
Language：jpn Book type：Report
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Elementary Processes in Dense Plasmas: The Proceedings of the Oji International Seminar
-Setsuo Ichimaru and Shuji Ogata（ Role： Joint editor）
Addison-Wesley 1995.04
Language：eng Book type：Scholarly book
Misc
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「富岳」成果創出加速プログラム「環境適合型機能性化学品」 Invited
松林伸幸，石山達也，泰岡顕治，尾形修司，藤本和士
24 ( 1 ) 22 - 31 2022.01
Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (scientific journal)
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A hybrid quantum-classical simulation study on the Li diffusion in Li-graphite intercalation compounds
Nobuko Ohba, Shuji Ogata, Takahisa Kouno, and Ryoji Asahi
8 32 - 39 2013.03
Language：English Publishing type：Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media) Publisher：Tokyo Institute of Technology
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ナノテク材料のハイブリッド量子古典シミュレーション
尾形修司，大庭伸子，河野貴久
30 ( 4 ) 231 - 235 2012.02
Authorship：Lead author Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：日本シミュレーション学会
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固体のためのハイブリッド原子-粗視化粒子シミュレーション法
小林亮，中村貴英，尾形修司
13 ( 3 ) 99 - 104 2011.08
Authorship：Lead author Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：分子シミュレーション研究会
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固体物理と流体物理のスケールギャップを埋める多階層シミュレーション
尾形修司，後藤俊幸
2009.11
Authorship：Lead author Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：プラズマ・核融合学会
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ナノ機能元素のマルチスケールシミュレーション
鶴田健二，小山敏幸，小林亮，尾形修司，兵頭志明
2009.05
Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：日本金属学会
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A Suite of Hybrid Simulation Schemes for Reaction Processes at Interfaces in Nano-to-Micrometer Scales
Shuji Ogata
2008.02
Authorship：Lead author Language：English Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：高分子学会
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ナノからマイクロ超スケールまで：複雑な固体流体界面に対する大規模シミュレーションコード群の開発
尾形修司
2007.11
Authorship：Lead author Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (other) Publisher：名古屋工業会
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ハイブリッド・シミュレーションへ向けての粗視化粒子法の拡張
小林亮，尾形修司
2007.06
Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (international conference proceedings) Publisher：分子シミュレーション研究会
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電荷平衡型原子間ポテンシャルを用いたナノフェーズ材料のシミュレーション
尾形修司，家富洋
2006.06
Authorship：Lead author Language：Japanese Publishing type：Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media) Publisher：株シーエムシー
Presentations
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金属樹脂間の接着にもたらす水分の特異な働き:電子レベルからのシミュレーション Invited
尾形修司
第55回 中部化学関係学協会支部連合 秋季大会 2024.11
Event date： 2024.11
Language：Japanese Presentation type：Oral presentation (invited, special)
Venue：名古屋市 Country：Japan
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Proton state and adhesion of metal-resin interface in moist environment
2024.10
Event date： 2024.10
Language：Japanese Presentation type：Poster presentation
Country：Japan
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Enhanced adhesion of amine-cured epoxy resin and silane-treated aluminum originating from H2O-assisted proton transfer Invited International conference
Shuji Ogata
PSCM2024 2024.10
Event date： 2024.10
Language：English Presentation type：Oral presentation (keynote)
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Temperature-dependent domain wall width and free energy in BaTiO3 determined via molecular dynamics simulation
Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Takahiro Tsuzuki, Genki Deguchi, Tomohiro Ogawa
Multiscale Materials Modeling 11 2024.09
Event date： 2024.09
Language：English Presentation type：Oral presentation (general)
Venue：Prague Country：Czech Republic
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Enhanced adhesion of epoxy resin and silane-treated aluminum by H2O-assisted proton-shift International conference
Shuji Ogata
Multiscale Materials Modeling 11 2024.09
Event date： 2024.09
Language：English Presentation type：Oral presentation (general)
Venue：Prague Country：Czech Republic
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強誘電体BaTiO3の90°分極回転に必要な外部電場の特異な温度依存性
小川 智央，吾妻 真光，尾形 修司，小林 亮，浦長瀬 正幸，都築 貴寛，高橋 佑汰，野崎 拓実
第85回応用物理学会秋季学術講演会 2024.09
Event date： 2024.09
Language：Japanese Presentation type：Oral presentation (general)
Venue：新潟市 Country：Japan
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強誘電体ドメイン壁自由エネルギーの温度・空孔濃度依存性に関する分子動力学法計算
吾妻 真光，尾形 修司，小林 亮，浦長瀬 正幸，都築 貴寛，小川 智央
第85回応用物理学会秋季学術講演会 2024.09
Event date： 2024.09
Language：Japanese Presentation type：Oral presentation (general)
Venue：新潟市 Country：Japan
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｢エネルギー変換科学（計算科学）｣ 様々な現象に適用可能なシミュレーション技術
尾形修司
名古屋工業大学博士グローバルアカデミー DGA講座「エネルギー変換システム」 講座⑦ 2024.08
Event date： 2024.08
Language：Japanese Presentation type：Public lecture, seminar, tutorial, course, or other speech
Venue：名古屋市 Country：Japan
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電子レベルからの大規模シミュレーションで探る水分が接着力に及ぼす効果 Invited
尾形修司
技術情報協会セミナー「AIやMIを用いた 接着接合部の密着性解析・強度予測・その活用 」 2024.08
Event date： 2024.08
Language：Japanese Presentation type：Public lecture, seminar, tutorial, course, or other speech
Venue：Online Country：Japan
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アルミニウムの接着に関する電子レベルからのシミュレーション Invited
尾形修司
関西接着ワークショップ第１回講演会 2024.07
Event date： 2024.07
Language：Japanese Presentation type：Oral presentation (invited, special)
Venue：Online Country：Japan
Awards
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2024.03 American Institute of Phsics - Applied Physics Letters Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations
Dilshod Durdiev, Michael Zaiser, Frank Wendler, Takahiro Tsuzuki, Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase
Award type：Honored in official journal of a scientific society, scientific journal Country：United States
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Awarded as a Featured Article by Editorial Group
2023.03 American Institute of Phsics - Journal of Applied Physics Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations
Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase,Takahiro Tsuzuki, Dilshod Durdiev, and Frank Wendler
Award type：Honored in official journal of a scientific society, scientific journal Country：United States
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Best Poster Presentation Award, The 5th Int'l Conf. Mol. Sim.
2019.11 The Korean Institute of Metals and Materials (KIM) The Korea Institute of Science and Technology Korea Advanced Institute of Science and Technology - ACE Team Seoul National University Large-Scale DFT Simulation of SWCNT-encapsulated Quinone Molecules for Novel Cathode of Li-ion Battery
Takahiro Tsuzuki, Shuji Ogata, and Masayuki Uranagase
Award type：Award from international society, conference, symposium, etc. Country：Japan
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Excellent Achievement Research Project, HIgh-Performance Computing Infrastructure, RIST, Japan
2015.10 High-Performance Computing Infrastructure (HPCI),RIST,Japan
Shuji OGATA
Award type：International academic award (Japan or overseas) Country：Japan
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Papers of Editor's Choice, J. Phys. Soc. Jpn.
2014.07 Journal of Physicsl Society of Japan
Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, and Tomoyuki Tamura
Award type：Honored in official journal of a scientific society, scientific journal Country：Japan
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Best Presentation, Computational Mechanical Div., Japan Soc. Mech. Eng.
2010.02 Computational Mechanical Devision, Japan Society of Mechanical Engineering
Shuji OGATA
Award type：Award from Japanese society, conference, symposium, etc. Country：Japan
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Best Technical Paper, Supercomputing 2001
2001.11 Supercomputing 2001
A. Nakano, R. Kalia, P. Vashishta, T. Campbell, S. Ogata, F. Shimojo, and S. Saini
Award type：Award from international society, conference, symposium, etc. Country：United States
Committee Memberships
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公益財団法人 科学技術交流財団 スパコンものづくり研究会 座長 座長
2014.04 - 2016.03
Committee type：Other
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次世代スパコン戦略プログラム 分野２ 計算物質科学イニシアティブ 戦略課題小委員会委員 委員
2010.04 - 2016.03
Committee type：Other