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Affiliation Department etc. |
Department of Physical Science and Engineering
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Title |
Professor |
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Mail Address |
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Research Fields, Keywords |
-computer simulation, computational materials sciences |
OGATA Shuji
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Graduating School
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1982.04-1986.03
The University of Tokyo Faculty of Science Department of Physics Graduated
Graduate School
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1986.04-1991.03
The University of Tokyo Graduate School, Division of Science Doctor's Course Completed
External Career
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2010.04-2012.03
National Institute for Fusion Science Joint Professor
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1995.04-2003.06
Yamaguchi University Faculty of Engineering Associate Professor
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1993.04-1995.03
University of Tokyo Faculty of Sciences Assistant Professor
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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)
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Structural/Functional materials
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Mathematical physics/Fundamental condensed matter physics
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Nanomaterials chemistry
Research Career
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NEDO "Super-fast development of super-materials"
International Collaboration Funded Research
Project Year： 2016.10 - Now
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MEXT Post-K Computer Priority issues 7
Collaboration in Japan Funded Research
Project Year： 2014.11 - Now
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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
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KAKENHI-Priority Areas "Multi-scale simulation of interfaces"
Collaboration in Japan Grant-in-Aid for Scientific Research
Project Year： 2007.10 - 2012.03
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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
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Multi-scale Simulation of Nano-friction using Computation Grid
Individual Grant-in-Aid for Scientific Research
Project Year： 2004.04 - 2006.03
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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
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Large scale simulation of advanced materials
Individual (not selected)
Project Year： 1997.04 - 2001.11
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Atoms in superfluid helium
Individual (not selected)
Project Year： 1996.04 - 1998.03
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Physical properties of multi-component ionic materials
Individual Ordinary Research
Project Year： 1991.04 - 1997.04
Papers
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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
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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
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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
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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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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
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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
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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
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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
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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
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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
Books
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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
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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 (Part： Multiple Authorship )
Elsevier 2003.05
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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
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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
TSUBAME E-Science Journal ( Tokyo Institute of Technology ) 8 32 - 39 2013.03
Introduction and explanation (commerce magazine) Multiple Authorship
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
Academic Awards Received
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Excellent Achievement Research Project, HIgh-Performance Computing Infrastructure, RIST, Japan
2015.10.26
Winner： Shuji OGATA
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Papers of Editor's Choice, J. Phys. Soc. Jpn.
2014.07.10
Winner： Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, and Tomoyuki Tamura
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Best Presentation, Computational Mechanical Div., Japan Soc. Mech. Eng.
2010.02.25
Winner： Shuji OGATA
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Best Technical Paper, Supercomputing 2001
2001.11.30
Winner： A. Nakano, R. Kalia, P. Vashishta, T. Campbell, S. Ogata, F. Shimojo, and S. Saini