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Affiliation Department |
Department of Physical Science and Engineering
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Title |
Professor |
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Contact information |
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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 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
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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
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NEDO "Super-fast development of super-materials"
Funded Research
Project Year： 2016.10 - 2021.04
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MEXT Post-K Computer Priority issues 7
Funded Research
Project Year： 2014.11 - 2020.03
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KAKENHI-B Hybrid quantum-classical simulation of nano-interfaces under electric field
Grant-in-Aid for Scientific Research
Project Year： 2011.04 - 2014.03
Papers
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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
Authorship：Corresponding author Language：English Publishing type：Research paper (scientific journal)
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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
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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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
Language：English Publishing type：Research paper (scientific journal)
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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
Language：English Publishing type：Research paper (international conference proceedings)
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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
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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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
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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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
Language：English Publishing type：Research paper (scientific journal)
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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
Authorship：Lead author Language：English Publishing type：Research paper (scientific journal)
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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
Language：English Publishing type：Research paper (scientific journal)
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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
Language：English Publishing type：Research paper (scientific journal)
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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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
Event date： 2022.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：東工大
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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
Event date： 2022.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：東工大
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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
Event date： 2022.12
Language：Japanese Presentation type：Poster presentation
Venue：東工大
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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
Event date： 2022.12
Language：Japanese Presentation type：Poster presentation
Venue：東工大
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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
Event date： 2022.10
Language：Japanese Presentation type：Poster presentation
Venue：online
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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
Event date： 2022.09
Language：Japanese Presentation type：Oral presentation (general)
Venue：東北大学 川内北キャンパス
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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
Event date： 2022.09
Language：English Presentation type：Oral presentation (invited, special)
Venue：online
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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
Event date： 2022.09
Language：English Presentation type：Oral presentation (general)
Venue：Regensburg Country：Germany
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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
Event date： 2022.09
Presentation type：Poster presentation
Venue：Regensburg Country：Germany
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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
Event date： 2022.08
Language：English Presentation type：Oral presentation (invited, special)
Venue：online
Awards
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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