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Affiliation Department |
Department of Physical Science and Engineering
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Title |
Professor |
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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
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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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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
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Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study Reviewed International coauthorship
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)
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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DFT-MD simulations of adhesion and connection of materials under wet conditions
Shuji Ogata
2023.10
Event date： 2023.10
Language：Japanese Presentation type：Poster presentation
Country：Japan
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Weakening of adhesion in moist environment theoretically explained via protonation calculations Invited International conference
Shuji Ogata
AMC 2023 2023.09 Avanced Matrial Congress
Event date： 2023.09
Language：English Presentation type：Oral presentation (invited, special)
Venue：Virtual
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二軸歪みの印加による強誘電体BaTiO3の特性チューニング
吾妻 真光, 下井 聖也，都築 貴寛，小林 亮，浦長瀬 正幸， 出口 元貴，森本 彰人，尾形 修司
第８４回応用物理学会秋季学術講演会 2023.09 応用物理学会
Event date： 2023.09
Language：Japanese Presentation type：Oral presentation (general)
Venue：熊本 Country：Japan
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Moisture-induced weakening of adhesion between polymers and metals Invited International conference
Shuji Ogata
ICIAM 2023 2023.08
Event date： 2023.08
Language：English Presentation type：Oral presentation (invited, special)
Country：Japan
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Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine-Learning Potential through Active Learning International coauthorship International conference
Genki Deguchi, Ryo Kobayashi, Hikaru Azuma, Shuji Ogata, Masayuki Uranagase, and Samuele Spreafico
European Materials Research Society Spring Meeting 2023.06 European Materials Research Society
Event date： 2023.05 - 2023.06
Language：English Presentation type：Oral presentation (general)
Venue：Strusburg, France Country：Japan
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Ferroelectric 90° domain wall migration and free energy in BaTiO3 via molecular dynamics simulations International coauthorship International conference
Hikaru Azuma, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Takahiro Tsuzuki, Seiya Shimoi, Genki Deguchi, Frank Wendler, Dilshod Durdiev
European Materials Research Society Spring Meeting 2023.05 European Materials Research Society
Event date： 2023.05 - 2023.06
Language：English Presentation type：Oral presentation (general)
Venue：Strusburg, France Country：France
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Tuning physical properties of ferroelectric BaTiO3 by lateral compression: A molecular dynamics simulation study International conference
H. Azuma, S. Shimoi, T. Tsuzuki, R. Kobayashi, M. Uranagase, S. Ogata
European Materials Research Society Spring Meeting 2023.06 European Materials Research Society
Event date： 2023.05 - 2023.06
Language：English Presentation type：Poster presentation
Venue：Strusburg, France Country：France
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DFT-based Simulations on Protonation Free-Energy and Adhesion Strength of Epoxy Resin in Moist Environment Invited International conference
Shuji Ogata and Masayuki Uranagase
Nano Sci. & Tech. 2023 2023.05
Event date： 2023.05
Language：English Presentation type：Oral presentation (invited, special)
Country：Japan
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湿潤環境での材料・分子のプロトン化
尾形 修司
名工大 オプトバイオテクノロジーセンター Zoom講演会 2023.03 名工大 オプトバイオテクノロジーセンター
Event date： 2023.03
Language：Japanese Presentation type：Oral presentation (general)
Venue：名古屋 Country：Japan
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歪んだアミン系硬化エポキシ樹脂の湿潤環境でのプロトン化自由エネルギーに関する第一原理計算
尾形修司，浦長瀬正幸
日本化学会第103春季年会 2023.03 日本化学会
Event date： 2023.03
Language：Japanese Presentation type：Oral presentation (general)
Venue：野田 Country：Japan
Awards
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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