OGATA Shuji

写真a

Affiliation Department

Department of Physical Science and Engineering
Department of Physical Science and Engineering
Opto-Biotechnology Research Center

Title

Professor

Contact information

Contact information

Homepage

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

External Link

Degree

  • Doctor of Science ( 1991.03   The University of Tokyo )

Research Areas

  • Nanotechnology/Materials / Structural materials and functional materials

  • Natural Science / Mathematical physics and fundamental theory of condensed matter physics

  • Nanotechnology/Materials / Nanomaterials

  • Nanotechnology/Materials / Composite materials and interfaces

From School

  • The University of Tokyo   Faculty of Science   Department of Physics   Graduated

    1982.04 - 1986.03

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    Country:Japan

From Graduate School

  • The University of Tokyo   Graduate School, Division of Science   Doctor's Course   Completed

    1986.04 - 1991.03

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    Country:Japan

External Career

  • National Institute for Fusion Science   Joint Professor

    2010.04 - 2012.03

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    Country:Japan

  • Yamaguchi University   Faculty of Engineering   Associate Professor

    1995.04 - 2003.06

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    Country:Japan

  • The University of Tokyo   Faculty of Sciences   Special researcher of the Japan Society for the Promotion of Science

    1991.04 - 1993.03

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    Country:Japan

  • The University of Tokyo   Faculty of Sciences   Assistant Professor

    1993.04 - 1995.03

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    Country:Japan

Professional Memberships

  • 日本化学会

    2021.09

  • 応用物理学会

    2020.08

  • 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

  • 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

  • 日本機械学会

    2009.11 - 2016.03

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Research Career

  • 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

  • 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

  • NEDO "Super-fast development of super-materials"

    Funded Research  

    Project Year: 2016.10 - 2021.04

  • MEXT Post-K Computer Priority issues 7

    Funded Research  

    Project Year: 2014.11 - 2020.03

  • KAKENHI-B Hybrid quantum-classical simulation of nano-interfaces under electric field

    Grant-in-Aid for Scientific Research  

    Project Year: 2011.04 - 2014.03

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Papers

  • Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study Reviewed

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Seiya Shimoi, Dilshod Durdiev, Frank Wendler

    J. Appl. Phys.   131   194101-1 - 194101-10   2022.05

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    Authorship:Corresponding author   Language:English   Publishing type:Research paper (scientific journal)  

  • Protonation and weakening of an epoxy resin-SiO2 composite with silane coupling agents under moist conditions Reviewed

    Shuji Ogata, Masayuki Uranagase, Yusuke Takahashi, Tomoya Kishi

    MRS Commun.   12   315 - 321   2022.04

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • Nonequilibrium molecular dynamics method based on coarse-graining formalism: Application to a nonuniform temperature field system Reviewed International journal

    Masayuki Uranagase and Shuji Ogata

    Physical Review E   104   065301-1 - 065301-17   2021.12

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Effects of Mono/Di-Vacancies on Domain Growth of BaTiO3: An Atomistic Computer Simulation Study Reviewed International coauthorship International journal

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, et al

    Proc. of the International Conference on Electrical, Computer, Communications and Mechatronics Engineering   2021.10

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    Language:English   Publishing type:Research paper (international conference proceedings)  

  • First-Principles Simulation Study on the Weakening of Silane Coupling to Silica under Alkaline Conditions Reviewed International journal

    Shuji Ogata, Masayuki Uranagase

    J. Phys. Chem. C   2021.10

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • First-Principles Calculations of the Protonation and Weakening of Epoxy Resin under Wet Conditions Reviewed International journal

    Shuji Ogata, Masayuki Uranagase, Yusuke Takahashi, and Tomoya Kishi

    J. Phys. Chem. B   2021.07

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • FE-CLIP: a tool for the calculation of the solid-liquid interfacial free energy Reviewed International journal

    Masayuki Uranagase and Shuji Ogata

    Comp. Phys. Commun.   2020.03

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode Reviewed International journal

    Takahiro Tsuzuki, Shuji Ogata, and Masayuki Uranagase

    Computational Materials Science   171   109281-1 - 109281-8   2020.01

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.commatsci.2019.109281

  • Hybrid Quantum-Classical Simulation of Li Ion Dynamics and the Decomposition Reaction of Electrolyte Liquid at a Negative- Electrode/Electrolyte Interface Reviewed International journal

    Nobuko Ohba, Shuji Ogata, and Ryoji Asahi

    J. Phys. Chem. C   123   9673 - 9679   2019.06

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1021/acs.jpcc.8b11737

  • Efficient scheme for calculating work of adhesion between a liquid and polymer-grafted substrate Reviewed International journal

    M. Uranagase, S. Ogata, K. Tanaka, H. Mori, and S. Tajima

    J. Chem. Phys.   149   064703-1 - 064703-9   2018.08

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    Language:English   Publishing type:Research paper (scientific journal)  

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Books and Other Publications

  • Multiscale Simulations for Electrochemical Devices

    Nobuko Ohba and Shuji Ogata( Role: Joint author)

    Jenny Stanford Pub.  2020.01  ( ISBN:9789814800716

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    Responsible for pages:147-194   Language:eng   Book type:Scholarly book

  • 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 

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    Language:jpn   Book type:Report

  • 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 

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    Language:eng   Book type:Scholarly book

  • 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 

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    Language:eng   Book type:Scholarly book

  • 基礎物理学

    -尾形修司( Role: Sole author)

    朝倉書店  1996.06 

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    Language:jpn   Book type:Textbook, survey, introduction

  • 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 

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    Language:jpn   Book type:Report

  • Elementary Processes in Dense Plasmas: The Proceedings of the Oji International Seminar

    -Setsuo Ichimaru and Shuji Ogata( Role: Joint editor)

    Addison-Wesley  1995.04 

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    Language:eng   Book type:Scholarly book

Misc

  • 「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

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    Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (scientific journal)  

  • 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

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    Language:English   Publishing type:Article, review, commentary, editorial, etc. (trade magazine, newspaper, online media)   Publisher:Tokyo Institute of Technology  

  • 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

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    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  

  • 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

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    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  

  • 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

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    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  

  • 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

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    Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (international conference proceedings)   Publisher:日本金属学会  

  • A Suite of Hybrid Simulation Schemes for Reaction Processes at Interfaces in Nano-to-Micrometer Scales

    Shuji Ogata

    2008.02

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    Authorship:Lead author   Language:English   Publishing type:Article, review, commentary, editorial, etc. (international conference proceedings)   Publisher:高分子学会  

  • 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

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    Authorship:Lead author   Language:Japanese   Publishing type:Article, review, commentary, editorial, etc. (other)   Publisher:名古屋工業会  

  • 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

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    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  

  • 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

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    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  

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Presentations

  • プロトン化自由エネルギーの第一原理計算とエポキシ系接着剤の水分弱化予測

    尾形 修司,浦長瀬 正幸

    第36回 分子シミュレーション討論会  2022.12 

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    Event date: 2022.12

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:東工大  

  • 第一原理計算を用いた力学的変形によるエポキシ樹脂破壊のpH依存性の評価

    浦長瀬 正幸,尾形 修司

    第36回 分子シミュレーション討論会  2022.12 

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    Event date: 2022.12

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:東工大  

  • DFT-MDシミュレーションによる不凍効果を示す分子のプロトン化起因メカニズム

    生田凌也,尾形修司, 浦長瀬正幸, 柴田哲男, 住井裕司

    第36回 分子シミュレーション討論会  2022.12 

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    Event date: 2022.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:東工大  

  • 強誘電体BaTiO3における90°ドメイン壁移動の分子動力学シミュレーション International coauthorship

    吾妻 真光,尾形 修司,小林 亮,浦長瀬 正幸,都築 貴寛,下井 聖也,Frank Wendler,Dilshod Durdiev

    第36回 分子シミュレーション討論会  2022.12 

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    Event date: 2022.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:東工大  

  • 高速なシミュレーションによる金属と有機液体との化学反応

    尾形修司

    HPCI第9回成果発表会  2022.10 

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    Event date: 2022.10

    Language:Japanese   Presentation type:Poster presentation  

    Venue:online  

  • 強誘電体 BaTiO3における90°ドメイン壁の構造と移動に関する分子動力学シミュレーション解析 International coauthorship

    吾妻 真光,尾形 修司,小林 亮,浦長瀬 正幸,都築 貴寛,下井 聖也,Frank Wendler,Dilshod Durdiev

    第83回応用物理学会秋季学術講演会  2022.09 

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    Event date: 2022.09

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:東北大学 川内北キャンパス  

  • Moisture-Induced Weakening of Adhesion Bonding: First-principles Calculations of Protonation Free-Energy and Bond-Breaking Barrier Energy Invited International conference

    Shuji Ogata and Masayuki Uranagase

    PCM2022  2022.09 

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    Event date: 2022.09

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:online  

  • A phase-field model for ferroelectrics with local chemical defects International coauthorship International conference

    Dilshod Durdiev, Frank Wendler, Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Hikaru Azuma

    DPG Meeting of the Condensed Matter Section (SKM)  2022.09 

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    Event date: 2022.09

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Regensburg   Country:Germany  

  • Molecular dynamics analysis of point defects in ferroelectrics International coauthorship International conference

    Takahiro Tsuzuki, Dilshod Durdiev, Frank Wendler, Ryo Kobayashi, Masayuki Uranagase, Hikaru Azuma, Shuji Ogata

    DPG Meeting of the Condensed Matter Section (SKM)  2022.09 

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    Event date: 2022.09

    Presentation type:Poster presentation  

    Venue:Regensburg   Country:Germany  

  • How Protonation and Deprotonation Affect Weakening of Epoxy Resin and Silane Coupling: First-Principles Simulation Based on Free Energy Calculation Invited International conference

    Shuji Ogata and Masayuki Uranagase

    BCS-AMC2022  2022.08 

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    Event date: 2022.08

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:online  

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Awards

  • 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

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    Award type:Award from international society, conference, symposium, etc.  Country:Japan

  • Excellent Achievement Research Project, HIgh-Performance Computing Infrastructure, RIST, Japan

    2015.10   High-Performance Computing Infrastructure (HPCI),RIST,Japan  

    Shuji OGATA

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    Award type:International academic award (Japan or overseas)  Country:Japan

  • 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

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    Award type:Honored in official journal of a scientific society, scientific journal  Country:Japan

  • Best Presentation, Computational Mechanical Div., Japan Soc. Mech. Eng.

    2010.02   Computational Mechanical Devision, Japan Society of Mechanical Engineering  

    Shuji OGATA

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    Award type:Award from Japanese society, conference, symposium, etc.  Country:Japan

  • Best Technical Paper, Supercomputing 2001

    2001.11   Supercomputing 2001  

    A. Nakano, R. Kalia, P. Vashishta, T. Campbell, S. Ogata, F. Shimojo, and S. Saini

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    Award type:Award from international society, conference, symposium, etc.  Country:United States

 

Committee Memberships

  • 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   

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    Committee type:Other

  • 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   

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    Committee type:Other