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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 - 2021.04
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MEXT Post-K Computer Priority issues 7
Collaboration in Japan Funded Research
Project Year： 2014.11 - 2020.03
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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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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
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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
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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
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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
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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
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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
Books
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Multiscale Simulations for Electrochemical Devices
Nobuko Ohba and Shuji Ogata (Part： Multiple Authorship )
Jenny Stanford Pub. 2020.01 ISBN: 9789814800716
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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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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
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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
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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
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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
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DFT-based simulations about stability and adhesion of metal-organic interfaces
Shuji Ogata [Invited]
Euro. Adv. Mat. Cong. 2021 (Online) 2021.08 - 2021.08
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Adhesion and stability of metal-organic interfaces: large-scale computer simulations
Shuji Ogata and Masayuki Uranagase [Invited]
AMPC2021 (Online) 2021.02 - 2021.02
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Adhesion and stability of metal-organic interfaces: large-scale computer simulations
Shuji Ogata [Invited]
Conf. Chem. & Nanosci. (Online) 2021.01 - 2021.01
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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
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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
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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
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