Papers - OGATA Shuji
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Exactly time-reversible molecular dynamics algorithm for rigid-body systems Reviewed
Y. Kajima, M. Hiyama, S. Ogata, and T. Tamura
Journal of physical society of japan 80 114002-1 - 14002-7 2011.09
Language:English Publishing type:Research paper (scientific journal)
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A hybrid quantum-classical simulation study on stress-dependence of Li diffusivity in graphite Reviewed
N. Ohba, S. Ogata, T. Tamura, S. Yamakawa, R. Asahi
Computer modeling in engineering and sciences 75 ( 4 ) 247 - 266 2011.09
Language:English Publishing type:Research paper (scientific journal)
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ハイブリッドシミュレーションに適応した可視化ソフトウェアAkiraの開発 Reviewed
中村貴英,河野貴久,小林亮,尾形修司
Journal of Computer Chemistry Japan 10 ( 2 ) 59 - 68 2011.09
Language:Japanese Publishing type:Research paper (scientific journal)
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A coupled molecular dynamics/coarse-grained-particle method for dynamic simulation of crack growth at finite temperatures Invited Reviewed
R. Kobayashi, T. Nakamura, and S. Ogata
Materials transaction 52 ( 8 ) 1603 - 1610 2011.09
Language:English Publishing type:Research paper (scientific journal)
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Improvement of coarse-grained particle method for materials: finite-temperature and inhomogeneity effects Reviewed
T. Nakamura, R. Kobayashi, and S. Ogata
Computer modeling in engineering and sciences 73 ( 4 ) 357 - 386 2011.08
Language:English Publishing type:Research paper (scientific journal)
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Theoretical mechanical properties of silica glass: first-principles tensile tests Reviewed
Tomoyuki Tamura, Masaru Sakurai, Takahide Nakamura, Ryo Kobayashi, and Shuji Ogata
Trans. Mater. Res. Soc. Jpn. 36 ( 1 ) 33 - 38 2011.03
Language:English Publishing type:Research paper (scientific journal)
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Hybrid quantum-classical simulation on the Li-graphite intercalation compound Reviewed
Nobuko Ohba, Shuji Ogata, Ryo Kobayashi, Shunsuke Yamakawa1, and Shi-aki Hyodo
Proceedings of Multiscale Modeling of Materials 2010 2010.11
Language:English Publishing type:Research paper (international conference proceedings)
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Hybrid atomistic/coarse-grained-particle simulation of dynamic crack growth in a brittle material Reviewed
Ryo Kobayashi, Takahide Nakamura, and Shuji Ogata
Proceedings of Multiscale Modeling of Materials 2010 2010.11
Language:English Publishing type:Research paper (international conference proceedings)
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Advancement of the coarse-grained particle method for finite temperature solids Reviewed
Takahide Nakamura, Ryo Kobayashi, and Shuji Ogata
Proceedings of Multiscale Modeling of Materials 2010 2010.11
Language:English Publishing type:Research paper (international conference proceedings)
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Numerical simulation of fluid induced vibration of graphenes at micron scales Reviewed
Yohei Inoue, Ryo Kobayashi, Shuji Ogata, and Toshiyuki Gotoh
Computer Modeling in Engineering & Sciences 63 ( 2 ) 137 - 162 2010.08
Language:English Publishing type:Research paper (scientific journal)
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Stress-induced nano-oxidation of silicon by diamond-tip in moisture environment: a hybrid quantum-classical simulation study Reviewed
Shuji Ogata, Yuya Abe, Nobuko Ohba, and Ryo Kobayashi
J. Appl. Phys. 108 ( 6 ) 064313-1 - 12 2010.07
Authorship:Lead author Language:English Publishing type:Research paper (scientific journal)
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A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system Reviewed
Ryo Kobayashi, Takahide Nakamura, and Shuji Ogata
International Journal for Numerical Methods in Engineering 83 ( 2 ) 249 - 268 2010.05
Language:English Publishing type:Research paper (scientific journal)
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Adaptive Hybridization of Density-Functional Theory and Molecular Dynamics: Reaction of Pressurized Water Molecule Trapped in Between Nano-Structured Diamond and Silicon Reviewed
Shuji Ogata, Yuya Abe,and Ryo Kobayashi
Mat. Res. Soc. Symp. Proc 1 - 6 2009.11
Authorship:Lead author Language:English Publishing type:Research paper (international conference proceedings)
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Recursive Coarse-Grained Particle Method for Inhomogeneous Materials: Re-formulation Based on Atom-relaxation Reviewed
Takahide Nakamura, Ryo Kobayashi, and Shuji Ogata
Mat. Res. Soc. Symp. Proc 1 - 6 2009.11
Language:English Publishing type:Research paper (international conference proceedings)
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Classical and Hybrid Density-Functional/Classical molecular Dynamics Study of Dislocation Core in Alumina Ceramic Reviewed
Kenji Tsututa, Toshiyuki Koyama, and Shuji Ogata
Materials Transaction 50 ( 5 ) 1015 - 1018 2009.04
Language:English Publishing type:Research paper (scientific journal)
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The Development and Evaluation of An Integrated Framework Supporting Sustainable Execution for Large-Scale Computations on Grids Reviewed
Yingwen Song, Yoshio Tanaka, Hiroshi Takemiya, Hidemoto Nakada, Satoshi Sekiguchi, Aiichiro Nakano, and Shuji Ogata
International Journal of Computational Science 3 ( 1 ) 18 - 31 2009.02
Language:English Publishing type:Research paper (scientific journal)
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Development of hybrid atomistic/coarse-grained dynamic simulation approach Reviewed
Ryo Kobayashi, Takahide Nakamura, and Shuji Ogata
Journal of Computational and Theoretical Nanoscience 5 ( 8 ) 1768 - 1771 2008.11
Language:English Publishing type:Research paper (scientific journal)
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Large-Scale Simulation of Oscillating Metal-Nanorod: Application of the Hybrid Molecular-Dynamics/Coarse-Grained-Particle Approarch Reviewed
Ryo Kobayashi,Takahide Nakamura, and Shuji Ogata
Proceedings of Multiscale Modeling of Materials 2008 210 - 213 2008.11
Language:English Publishing type:Research paper (international conference proceedings)
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A Suite of Hybrid Simulation Schemes for Nano-to-Micrometer Scale Processes at Solid-Fluid Interfaces Reviewed
Shuji Ogata, Ryo Kobayashi, and Toshiyuku Gotoh
Proceedings of Multiscale Modeling of Materials 2008 178 149 - 156 2008.11
Authorship:Lead author Language:English Publishing type:Research paper (international conference proceedings)
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Activation Energy for Oxygen Diffusion in Strained Silicon: A Hybrid Quantum-Classical Simulation Study with the Nudged Elastic Band Method Reviewed
Takahisa Kouno and Shuji Ogata
J. Phys. Soc. Jpn 77 ( 5 ) 54708 - 1-10 2008.04
Language:English Publishing type:Research paper (scientific journal)