OGATA Shuji

写真a

Affiliation Department etc.

Department of Physical Science and Engineering
Department of Physical Science and Engineering

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  -  Now

  • MEXT Post-K Computer Priority issues 7

    Collaboration in Japan   Funded Research  

    Project Year:  2014.11  -  Now

  • 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

  • Large-Scale DFT Simulation of Quinone Molecules Encapsulated in SWCNT for Cathodes of Rechargeable Battery

    T. Tsuzuki, S. Ogata, and M. Uranagase

    AIP Proceedings of ICNN 2018     2018.12  [Refereed]

    Research paper (international conference proceedings)   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

  • Smart MD-Sampling Method for Interfacial Free Energy between Polymer-grafted Substrate and Liquid

    Uranagase and S. Ogata

    MRS Advences   3   519 - 524   2017.12  [Refereed]

    Research paper (international conference proceedings)   Multiple Authorship

  • Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a lithium-ion battery

    Tomoyuki Tamura, Masanori Kohyama, and Shuji Ogata

    Phys. Rev. B   96   035107   2017  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Moisture-Induced Reduction of Adhesion Strength between Surface Oxidized Al and Epoxy Resin: Dynamics Simulation with Electronc Structure Calculation

    Shuji Ogata, Yusuke Takahashi

    J. Phys. Chem. C   120   13630 - 13637   2016.08  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Enhanced Si-O Bond Breaking in Silica Glass by Water Dimer: A Hybrid Quantum-Classical Simulation Study

    Takahisa Kouno, Shuji Ogata, Takaaki Shimada, Tomoyuki Tamura, and Ryo Kobayashi

    J. Phys. Soc. Jpn.   85   054601-1 - 054601-9   2016.04  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Thermal diffusion of correlated Li-ions in graphite: a hybrid quantum-classical simulation study

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

    Comp. Mater. Sci.   108   250 - 257   2015.09  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • A molecular dynamics study on thermal conductivity of thin epoxy polymer sandwiched between alumina fillers in heat-dissipation composite material

    K. Tanaka, S. Ogata, R. Kobayashi, T. Tamura, and T. Kouno

    Int. J. Heat and Mass Transfer   89   714 - 723   2015.08  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

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Books

  • 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

  • Large-scale electronic-level simulation of adhesion strength between Al and epoxy in a moist environment

    S. Ogata

    GREEN 2018  (Taipei, Taiwan)  2018.12  -  2018.12 

  • Efficient evaluation of adhesion free energy between a liquid and polymer-grafted substrate

    M. Uranagase and S. Ogata

    MMM2018  (大阪)  2018.10  -  2018.10 

  • Unveiling the chemical reactions involved in moisture-induced weakening of adhesion between aluminum and epoxy resin: a hybrid quantum-classical simulation study

    S. Ogata and M. Uranagase

    MMM2018  (大阪)  2018.10  -  2018.10 

  • From First-Principles Calculations to Material Design: Multiscale Simulation of Nano Materials

    R. Belkada, S. Soukane, and S. Ogata  [Invited]

    ICCESEN-2018  (Antalya, Turkey)  2018.10  -  2018.10 

  • Large-Scale DFT Molecular-Dynamics Simulation of Organic Molecules@SWCNT for Li-ion Battery Electrode

    S. Ogata and T. Tsuzuki  [Invited]

    EMN Meeting on Computation and Theory  (San Sebastian, Spain)  2018.09  -  2018.09 

  • Hybrid Quantum-Classical Dynamics Simulation of Moisture-Induced Weakening of Metal-Resin Adhesion

    S. Ogata and M. Uranagase  [Invited]

    EMN Meeting on Computation and Theory  (San Sebastian, Spain)  2018.09  -  2018.09 

  • Large-Scale First-Principles Molecular Dynamics Simulation of Organic Molecules@SWCNT for Novel Cathode Material of Li-Ion Battery

    S. Ogata, T. Tsuzuki, and M. Uranagase

    60th Electronic Materials Conference   (Santa Barbara, USA)  2018.06  -  2018.06 

  • Large-scale hybrid quantum-classical simulation of metal-epoxy resin bonding in moist environment

    S. Ogata and M. Uranagase  [Invited]

    MSAM2018  (Kitakyushu, Japan)  2018.04  -  2018.04 

  • Efficient evaluation method of the work of adhesion between liquid and polymer-grafted surface using thermodynamic integration

    M. Uranagase1 and S. Ogata  [Invited]

    ICNN 2018  (Selangor, Malaysia)  2018.02  -  2018.02 

  • Large-scale DFT simulation of quinone molecules encapsulated in SWCNT for cathodes of rechargeable battery

    T. Tsuzuki, S. Ogata, and M. Uranagase

    ICNN 2018  (Selangor, Malaysia)  2018.02  -  2018.02 

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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