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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 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
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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
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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
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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Unveiling the chemical reactions for weakening the aluminum-epoxy resin adhesion strength: Large-scale, hybrid quantum-classical dynamics simulation
Shuji Ogata and M. Uranagase [Invited]
Nano 2019 (Osaka) 2019.11 - 2019.11
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A free-energy calculation package for polymer-grafted solid-liquid interface: methodology and application
Masayuki Uranagase and Shuji Ogata
Okinawa Colloids 2019 (Okinawa) 2019.11 - 2019.11
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Large-Scale DFT Simulation of SWCNT-encapsulated Quinone Molecules for Novel Cathode of Li-ion Battery
Takahiro Tsuzuki, Shuji Ogata, and Masayuki Uranagase
International Conference on Molecular Simulation (Jeju, Korea) 2019.11 - 2019.11
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Spatiotemporal Multi-scale Simulation of Metal-organic Interfaces
S. Ogata, M. Uranagase, N. Uemura, N.Ohba, and K. Tanaka
第6回「京」を中核とするHPCIシステム利用研究課題成果報告会 (品川，東京) 2019.11 - 2019.11
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Electronic-level Dynamics Simulation of Adhesion Strength between Al and Epoxy in a Moist Environment
Shuji Ogata [Invited]
Advanced Materials Sciences and Engineerings 2019 (Osaka) 2019.07 - 2019.07
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Hybrid quantum-classical dynamics simulation of adhesion strength between Al and epoxy in a moist environment
Shuji Ogata [Invited]
The 7th Global Conference on Polymer and Composite Materials 2019 (Bangkok, Thailand) 2019.07 - 2019.07
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Microscopic Mechanisms of Weakening of Adhesion Strength at Aluminum-Epoxy Resin Interface under Moist Condition
Masayuki Uranagase and Shuji Ogata
Intergranular and Interphase Boundaries in Materials (Paris, France) 2019.07 - 2019.07
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Reaction Dynamics of Tricresyl Phosphate on Fe3O4 (111) Surface: a hybrid Quantum-Classical Simulation with Coarse-Grained Particles
Naoki Uemura, Yosuke Harada, and Shuji Ogata
Intergranular and Interphase Boundaries in Materials (Paris, France) 2019.07 - 2019.07
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Novel scheme for evaluation of adhesion strength between liquid and polymer-grafted surface using molecular dynamics simulations
Masayuki Uranagase and Shuji Ogata [Invited]
Advanced Functional Materials Congress 2019 (Stockholm, Sweden) 2019.03 - 2019.03
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DFT-MD simulations of reaction mechanisms between tricresy phosphate and Fe3O4 (111) surface
Naoki Uemura, Yosuke Harada, and Shuji Ogata
APS March Meeting (Boston, USA) 2019.03 - 2019.03
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