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 about Insertion and Extraction of Li’s for Quinons@SWCNT for Rechargeable Battery

    T. Tsuzuki, S. Ogata, M. Uranagase

    MRS Advences     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     2017.12  [Refereed]

    Research paper (bulletin of university, research institution)   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

  • Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation

    A.M. Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al.

    Nucl. Fusion   55   073013-1 - 073013-11   2015.08  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • Hybrid simulation research on formation mechanism of tungsten nanostructure induced by helium plasma irradiation

    A.M Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al.

    J. Nuclear Material   463   109 - 115   2015.08  [Refereed]

    Research paper (scientific journal)   Multiple Authorship

  • A molecular dynamics study on bubble growth in tungsten under helium irradiatio

    R. Kobayashi, T. Hattori, T. Tamura, and S. Ogata

    J. Nuclear Material   463   1071 - 1074   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 DFT Simulation about Insertion and Extraction of Li’s for Quinons@SWCNT for Rechargeable Battery

    T. Tsuzuki, S. Ogata, M. Uranagase

    MRS Fall meeting 2017  (Boston, USA)  2017.11  -  2017.11  MRS

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

    Uranagase and S. Ogata

    MRS Fall meeting 2017  (Boston, USA)  2017.11  -  2017.11  MRS

  • Hybrid Quantum-Classical Simulation of Interface of Epoxy Resin and Al Metal: Moisture Effects on Adhesion

    S. Ogata,M. Uranagase

    MRS Fall meeting 2017  (Boston, USA)  2017.11  -  2017.11  MRS

  • Understanding the Mechanisms of the Anti-Freeze Protein by Large-Scale Molecular-Dynamics Simulation

    Y. Kajima and S. Ogata  [Invited]

    Nano S&T-2017  (Fukuoka)  2017.10  -  2017.10 

  • Large-Scale DFT Simulation of Organic Molecules Encapsulated in SWCNT as Electrode Material of Rechargeable Battery

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

    59th Electronic Materials Conference  (Notre Dame, USA)  2017.06  -  2017.06  MRS

  • Large-scale molecular-dynamics simulation of the anti-freeze proteins immersed in water

    S. Ogata  [Invited]

    PCM2017  ( Guangzhou, China)  2017.05  -  2017.05 

  • Machine learning based prediction of grain-boundary properties

    R. Arakawa, T. Tamura, M. Karasuyama, R. Kobayashi, S. Ogata

    MRS-J  (横浜)  2016.12  -  2016.12 

  • 第一原理分子動力学法によるSi基板表面-水間の界面自由エネルギーの評価

    浦長瀬正幸,田中宏一,森穂高,田嶋聡美,尾形修司

    MSSJ2016  (大阪)  2016.11  -  2016.11 

  • Hybrid Quantum-Classical Simulation of Interface of Epoxy Resin and Al Metal: Moisture Effects on Adhesion

    S. Ogata,M. Uranagase

    MRS Fall meeting 2017  (Boston, USA)  2016.11  -  2016.11  MRS

  • Adhesion between Al and epoxy resin: multi-thousand-atom dynamics simulation with electronic structure calculation

    Shuji Ogata  [Invited]

    Int'l Conf. on Mol. Simul. 2016  (Shanghi, China)  2016.10  -  2016.10 

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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