OGATA Shuji

写真a

Affiliation Department etc.

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

Title

Professor

Mail Address

E-mail address

Research Fields, Keywords

-computer simulation, computational materials sciences

Graduating School

  • 1982.04
    -
    1986.03

    The University of Tokyo   Faculty of Science   Department of Physics   Graduated

Graduate School

  • 1986.04
    -
    1991.03

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

Degree

  • The University of Tokyo -  Doctor of Science

External Career

  • 2010.04
    -
    2012.03

    National Institute for Fusion Science   Joint Professor  

  • 1995.04
    -
    2003.06

    Yamaguchi University   Faculty of Engineering   Associate Professor  

  • 1993.04
    -
    1995.03

    University of Tokyo   Faculty of Sciences   Assistant Professor  

  • 1991.04
    -
    1993.03

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

Field of expertise (Grants-in-aid for Scientific Research classification)

  • Structural/Functional materials

  • Mathematical physics/Fundamental condensed matter physics

  • Nanomaterials chemistry

 

Research Career

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

    International Collaboration   Funded Research  

    Project Year:  2016.10  -  2021.04

  • MEXT Post-K Computer Priority issues 7

    Collaboration in Japan   Funded Research  

    Project Year:  2014.11  -  2020.03

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

    Collaboration in Japan   Grant-in-Aid for Scientific Research  

    Project Year:  2011.04  -  2014.03

  • KAKENHI-Priority Areas "Multi-scale simulation of interfaces"

    Collaboration in Japan   Grant-in-Aid for Scientific Research  

    Project Year:  2007.10  -  2012.03

  • Large-scale simulation of complex solid-fuild interfaces

    Collaboration in Japan   JST Basic Research Programs (Core Research for Evolutional Science and Technology :CREST)  

    Project Year:  2005.11  -  2011.03

  • Multi-scale Simulation of Nano-friction using Computation Grid

    Individual   Grant-in-Aid for Scientific Research  

    Project Year:  2004.04  -  2006.03

  • Hybrid quantum-classical simulation

    Collaboration in Japan   JST Research and Development for Applying Advanced Computational Science and Technology :ACT-JST  

    Project Year:  2001.11  -  2004.10

  • Large scale simulation of advanced materials

    Individual   (not selected)  

    Project Year:  1997.04  -  2001.11

  • Atoms in superfluid helium

    Individual   (not selected)  

    Project Year:  1996.04  -  1998.03

  • Physical properties of multi-component ionic materials

    Individual   Ordinary Research  

    Project Year:  1991.04  -  1997.04

Papers

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

    Masayuki Uranagase and Shuji Ogata

    Physical Review E   104   065301-1 - 065301-17   2022.01  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Effects of Mono/Di1-Vacancies on Domain Growth of BaTiO3: An Atomistic Computer Simulation Study

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, et al

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

    Research paper (international conference proceedings)   Multiple Authorship

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

    Shuji Ogata, Masayuki Uranagase

    J. Phys. Chem. C     2021.10  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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

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

    J. Phys. Chem. B     2021.07  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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

    Masayuki Uranagase and Shuji Ogata

    Comp. Phys. Commun.     2020.03  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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

    Takahiro Tsuzuki, Shuji Ogata, and Masayuki Uranagase

    Computational Materials Science   171   109281-1 - 109281-8   2020.01  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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

    Nobuko Ohba, Shuji Ogata, and Ryoji Asahi

    J. Phys. Chem. C   123   9673 - 9679   2019.06  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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

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

    J. Chem. Phys.   149   064703-1 - 064703-9   2018.08  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Unveiling the Chemical Reactions Involved in Moisture-Induced Weakening of Adhesion between Aluminum and Epoxy Resin

    S. Ogata and M. Uranagase

    J. Phys. Chem. C   122   17748 - 17755   2018.07  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Large-scale DFT Simulation about Insertion and Extraction of Li’s for Quinons@SWCNT for Rechargeable Battery

    T. Tsuzuki, S. Ogata, M. Uranagase

    MRS Advences   3   1229 - 1234   2017.12  [Refereed]

    Research paper (international conference proceedings)   Multiple Authorship

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Books

  • Multiscale Simulations for Electrochemical Devices

    Nobuko Ohba and Shuji Ogata (Part: Multiple Authorship )

    Jenny Stanford Pub.  2020.01 ISBN: 9789814800716

  • Computational Methods in Large Scale Simulation

    -A. Nakano, R.K.Kalia, A. Sharma, P. Vashishta, S. Ogata, and F. Shimojo (Part: Multiple Authorship )

    World Scientific  2005.06

  • 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 (Part: Multiple Authorship )

    Elsevier  2003.05

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

    -Setsuo Ichimaru and Shuji Ogata (Part: Joint Editing and Writing )

    Addison-Wesley  1995.04

Review Papers

  • A hybrid quantum-classical simulation study on the Li diffusion in Li-graphite intercalation compounds

    Nobuko Ohba, Shuji Ogata, Takahisa Kouno, and Ryoji Asahi

    TSUBAME E-Science Journal ( Tokyo Institute of Technology )  8   32 - 39   2013.03

    Introduction and explanation (commerce magazine)   Multiple Authorship

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

    Shuji Ogata

    高分子Hot Topics ( 高分子学会 )    2008.02

    Introduction and explanation (international conference proceedings)   Single Author

Presentations

  • Atomistic Simulation of Ferroelectric Domain Growth in BaTiO3 by Applied Electric Field: Effects of Vacancies

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Seiya Shimoi, Saki Tsujimoto, Frank Wendler, Dilshod Duediev

    MRS Fall Meeting  (Online)  2021.12  -  2021.12 

  • Protonation and Weakening of Epoxy Resin Under Wet Conditions from First-Principles Calculations

    Shuji Ogata and Masayuki Uranagase

    MRS Fall Meeting  (Online)  2021.12  -  2021.12 

  • Simulation Analysis of Effect of Vacancies on Ferroic Domain Growth of BaTiO3

    Takahiro Tsuzuki, Shuji Ogata, Ryo Kobayashi, Masayuki Uranagase, Seiya Shimoi, Saki Tsujimoto

    5th European Conference on Electrical Engineering & Computer Science  (Online)  2021.11  -  2021.11 

  • Large-scale DFT-based simulations about stability and breaking of metal-organic adhesion in moist condition

    Shuji Ogata  [Invited]

    Vebleo Webinar on Science, Engineering and Technology 2021  (Online)  2021.08  -  2021.08 

  • DFT-based simulations about stability and adhesion of metal-organic interfaces

    Shuji Ogata  [Invited]

    Euro. Adv. Mat. Cong. 2021  (Online)  2021.08  -  2021.08 

  • Adhesion and stability of metal-organic interfaces: large-scale computer simulations

    Shuji Ogata and Masayuki Uranagase  [Invited]

    AMPC2021  (Online)  2021.02  -  2021.02 

  • Adhesion and stability of metal-organic interfaces: large-scale computer simulations

    Shuji Ogata  [Invited]

    Conf. Chem. & Nanosci.  (Online)  2021.01  -  2021.01 

  • Li-Si-O材料の構造欠陥の第一原理XANESシミュレーション

    片山 航,田村 友幸, 小林亮,尾形 修司

    第30回日本MRS年次大会   (Webinar)  2020.12  -  2020.12  MRS-J

  • Novel evaluation scheme of adhesion strength at the interface between liquid and polymer-grafted substrate

    Masayuki Uranagase and Shuji Ogata

    ACS National Meeting & Expo  (Philadelphia, USA)  2020.03  -  2020.03 

  • Reaction dynamics simulation of an interface between Trecresyl phosphate and Iron oxide by a hybrid quantum and classical method

    Naok Uemura, Yosuke Harada, Shuji Ogata

    DPG Spring Meetings 2020  (Dresden, Germany)  2020.03  -  2020.03 

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Academic Awards Received

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

    2015.10.26    

    Winner: Shuji OGATA

  • Papers of Editor's Choice, J. Phys. Soc. Jpn.

    2014.07.10    

    Winner: Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, and Tomoyuki Tamura

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

    2010.02.25    

    Winner: Shuji OGATA

  • Best Technical Paper, Supercomputing 2001

    2001.11.30    

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