OGATA Shuji 尾形修司

… Alternative Names

Ogata Shuji 尾形修司

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Researcher Number	90251404
Other IDs
External Links
Affiliation (Current)	2025: 名古屋工業大学, 工学(系)研究科(研究院), 教授
Affiliation (based on the past Project Information) *help	2020 – 2024: 名古屋工業大学, 工学(系)研究科(研究院), 教授 2012 – 2013: 名古屋工業大学, 工学(系)研究科(研究院), 教授 2011: 名古屋工業大学, 工学研究科, 教授 2008 – 2011: 名古屋工業大学, 大学院・工学研究科, 教授 2007: 名古屋工業大学, 工学研究科, 教授 … More 2005: Nagoya Institute of Technology, Graduate School of Engineering, Professor, 工学研究科, 教授 2004: 名古屋工業大学, 工学研究科, 助教授 1994: 東京大学, 大学院理学系研究科, 助手 1993 – 1994: 東京大学, 大学院・理学系研究科, 助手 Less
Review Section/Research Field	Principal Investigator Basic Section 26030:Composite materials and interfaces-related / Basic Section 28010:Nanometer-scale chemistry-related / 計算科学 / Nanomaterials/Nanobioscience Except Principal Investigator 広領域 / Science and Engineering
Keywords	Principal Investigator DFT / シミュレーション / MD / 分子動力学 / 密度汎関数法 / X線分光 / 和周波発生分光 / 接着界面 / 湿潤環境 / プロトン化 … More / 接着 / 固液界面 / 加速MD法 / 化学反応の加速計算法 / 化学反応加速 / 化学反応加速化法 / density- functional theory / hybrid stimulation / coarse-graining method / grid computation / large-scale computation / micro to nano-scale device / tribology / molecular dynamics / 連続体的手法 / 原子論的手法 / 粗視化粒子法 / ナノ摩擦 / マルチスケールシミュレーション / ハイブリッドシミュレーション / ハイブリッドシミュレーシ / 粗視化手法 / グリッド計算 / 大規模計算 / マイクロ・ナノデバイス / トライボロジー / 粗視化 / 拡散 / ハイブリッド法 / 外部電場効果 / 実空間 / 剛体分子モデル / ダイナミックス / オーダーN計算法 / イオン輸送 / 大規模シミュレーション / 固体電解質皮膜 / オーダーN型 / Liイオンダイナミックス / 複雑界面 / Liイオン電池 … More Except Principal Investigator 白色矮星 / 相転移 / 状態方程式 / 高密度プラズマ / non-radial oscillation / seismology / phase transition / equation of state / Sun / giant planet / white dwarf / condensed plasma / 核反応 / 固有振動 / 恒星 / 非動径振動 / 星震 / 状態式 / 太陽 / 巨大惑星 / 高密プラズマ / Nuclear Fusion / Ultrahigh Pressure Metal / Radiative Transport / Electric and Thermal Transport / Partially Ionized Matter / Astrophysical Dense Matter / Equation of State / Dense Plasma / 不純物原子 / 密度汎関数法 / プラズマ・ニュートリノ過程 / 相図 / 多種イオン / スピン分極 / 電子液体 / 高密度星内部物質 / 電気・熱伝導 / 高密度天体 / 核融合 / 超高圧金属 / 輻射輸送 / 電気・熱伝導度 / 部分電離プラズマ / 天体内部物質 / 状態方程式・相図 / 構造・機能材料 / 機能元素 / 格子欠陥 / ナノ材料 / マルチスケール手法 Less

Understanding moisture-induced adhesion weakening via first-principles protonation calculationPrincipal Investigator
- Principal Investigator
  
  尾形修司
- Project Period (FY)
  2023 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26030:Composite materials and interfaces-related
- Research Institution
  Nagoya Institute of Technology
Development of chemical reaction acceleration method for solid-liquid interfacesPrincipal Investigator
- Principal Investigator
  
  Ogata Shuji
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 28010:Nanometer-scale chemistry-related
- Research Institution
  Nagoya Institute of Technology
Development of hybrid quantum-classical simulation scheme for chemical reaction in nano-scale liquid-solid interface under electric fieldPrincipal Investigator
- Principal Investigator
  
  OGATA Shuji
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Nagoya Institute of Technology
Nanodopant Analysis via Multiscale Numerical Method
- Principal Investigator
  
  TSURUTA Kenji
- Project Period (FY)
  2007 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Okayama University
Multiscale Simulation of Atomic-Scale Friction using Computation GridPrincipal Investigator
- Principal Investigator
  
  OGATA Shuji
- Project Period (FY)
  2004 – 2005
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  計算科学
- Research Institution
  Nagoya Institute of Technology
Astrophysical Dense Plasmas in Degenerate Stars
- Principal Investigator
  
  ICHIMARU Setsuo
- Project Period (FY)
  1993 – 1994
- Research Category
  
  Grant-in-Aid for international Scientific Research
- Research Institution
  The University of Tokyo
Phase Transitions in Dense Astrophysical Plasmas
- Principal Investigator
  
  ICHIMARU Setsuo
- Project Period (FY)
  1992 – 1994
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  広領域
- Research Institution
  The University of Tokyo

[Book] A hybrid quantum-classical simulation study on the Li diffusion in Li-graphite intercalation compounds, TSUBAME E-Science Journal, Vol.82013
- Author(s)
  Nobuko Ohba, Shuji Ogata, Takahisa Kouno, and Ryoji Asahi
- Data Source
  KAKENHI-PROJECT-23310074
[Book] ナノテク材料のハイブリッド量子古典シミュレーション日本シミュレーション学会誌「シミュレーション」, Vol.30,No.42012
- Author(s)
  尾形修司,大庭伸子,河野貴久
- Data Source
  KAKENHI-PROJECT-23310074
[Book] 固体のためのハイブリッド原子ー粗視化粒子シミュレーション法分子シミュレーション研究会誌「アンサンブル」,Vol.13, No.32011
- Author(s)
  小林亮,中村貴英,尾形修司
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method2023
- Author(s)
  Ogata Shuji、Uranagase Masayuki
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 127 Issue: 11 Pages: 2629-2638
- DOI
  10.1021/acs.jpcb.3c00401
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05246
[Journal Article] Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations2022
- Author(s)
  Hayashi Sota、Uemura Naoki、Uranagase Masayuki、Ogata Shuji
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 44 Issue: 6 Pages: 766-776
- DOI
  10.1002/jcc.27039
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05246
[Journal Article] Enhanced Heat Transfer through Filler-Polymer Interface by Surface-Coupling Agent in Heat-Dissipation Material: A Non-equilibrium Molecular Dynamics Study2013
- Author(s)
  Kouichi Tanaka, Shuji Ogata, Ryo Kobayashi, Tomoyuki Tamura, Masashi Kitsunezuka, and Atsushi Shinma
- Journal Title
  
  J. Appl. Phys.
  
  Volume: 114
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Enhanced Heat Transfer through Filler-Polymer Interface by Surface-Coupling Agent in Heat-Dissipation Material : A Non-equilibrium Molecular Dynamics Study2013
- Author(s)
  Kouichi Tanaka, Shuji Ogata, Ryo Kobayashi, Tomoyuki Tamura, Masashi Kitsunezuka, and Atsushi Shinma
- Journal Title
  
  J. Appl. Phys.
  
  Volume: Vol.114 Issue: 19
- DOI
  10.1063/1.4831946
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Multi-Thousand-Atom DFT Simulation of Li-Ion Transfer through the Boundary between the Solid-Electrolyte Interface and Liquid Electrolyte in a Li-Ion Battery2013
- Author(s)
  Shuji Ogata, Nobuko Ohba, and Takahisa Kouno
- Journal Title
  
  J. Phys. Chem. C.
  
  Volume: Vol.117 Issue: 35 Pages: 17960-17968
- DOI
  10.1021/jp405912f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Linear scaling algorithm of real-space density functional theory of electrons with correlated overlapping domains2012
- Author(s)
  Nobuko Ohba, Shuji Ogata, Takahisa Kouno, Tomoyuki Tamura, and Ryo Kobayashi
- Journal Title
  
  Comp. Phys. Commun.
  
  Volume: Vol.183 Issue: 8 Pages: 1664-1673
- DOI
  10.1016/j.cpc.2012.03.004
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Fast Time-Reversible Algorithms for Molecular Dynamics of Rigid-Body Systems2012
- Author(s)
  Yashuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura
- Journal Title
  
  J. Chem. Phys.
  
  Volume: Vol.136, Issue 23 Issue: 23
- DOI
  10.1063/1.4729284
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] ナノテク材料のハイブリッド量子古典シミュレーション2012
- Author(s)
  尾形修司, 大庭伸子, 河野貴久
- Journal Title
  
  日本シミュレーション学会誌「シミュレーション」
  
  Volume: 30 Pages: 37-41
- NAID
  110009327921
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Enhanced thermal diffusion of Li in graphite by alternating vertical electric field : a hybrid quantum-classical simulation study2012
- Author(s)
  Nobuko Ohba, Shuji Ogata, Tomoyuki Tamura, Ryo Kobayashi, Shunsuke Yamakawa, and Ryoji Asahi
- Journal Title
  
  J. Phys. Soc. Jpn. (Lett)
  
  Volume: Vol.81 Issue: 2 Pages: 023601-023601
- DOI
  10.1143/jpsj.81.023601
- NAID
  210000109363
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] A Coupled Molecular Dynamics/Coarse-Grained-Particle Method for Dynamic Simulation of Crack Growth at Finite Temperatures2011
- Author(s)
  R Kobayashi, T Nakamura, S Ogata
- Journal Title
  
  MATERIALS TRANSACTIONS
  
  Volume: 52 Issue: 8 Pages: 1603-1610
- DOI
  10.2320/matertrans.M2011116
- NAID
  130004454802
- ISSN
  1345-9678, 1347-5320
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] 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2011
- Author(s)
  中村貴英, 河野貴久, 小林亮, 尾形修司
- Journal Title
  
  Journal of Computer Chemistry Japan
  
  Volume: 10 Pages: 59-68
- NAID
  10031135590
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] Exactly Time-Reversible Molecular Dynamics Algorithm for Rigid-Body Systems2011
- Author(s)
  Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, and Tomoyuki Tamura
- Journal Title
  
  J. Phys. Soc. Jpn
  
  Volume: Vol.80 Issue: 11 Pages: 114002-114002
- DOI
  10.1143/jpsj.80.114002
- NAID
  210000109257
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] A hybrid quantum-classical simulation study on stress-dependence of Li diffusivity in graphite2011
- Author(s)
  N.Ohba, S.Ogata, T.Tamura, S.Yamakawa, R.Asahi
- Journal Title
  
  Computer Modeling in Engineering & Sciences
  
  Volume: 75 Pages: 247-266
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] A hybrid quantum-classical simulation study on stress-dependence of Li diffusivity in graphite2011
- Author(s)
  Nobuko Ohba, Shuji Ogata, Tomoyuki Tamura, Shunsuke Yamakawa, and Ryoji Asah
- Journal Title
  
  Computer Modeling in Engineering & Sciences
  
  Volume: Vol.75, No.4 Pages: 247-266
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23310074
[Journal Article] A Coupled Molecular Dynamics/Coarse-Grained-Particle Method for Dynamic Simulation of Crack Growth at Finite Temperatures2011
- Author(s)
  R Kobayashi, T Nakamura, S Ogata
- Journal Title
  
  MATERIALS TRANSACTIONS
  
  Volume: 52 Pages: 1603-1610
- NAID
  10029297635
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system2010
- Author(s)
  R.Kobayashi, T.Nakamura, S.Ogata
- Journal Title
  
  International Journal for Numerical Methods in Engineering (Early View)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system2010
- Author(s)
  R. Kobayashi, T. Nakamura, S. Ogata
- Journal Title
  
  Int. J. Numer. Meth. Engng, Early View
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system2010
- Author(s)
  R.Kobayashi, T.Nakamura, S.Ogata
- Journal Title
  
  International Journal for Numerical Methods in Engineering
  
  Volume: 83 Pages: 249-268
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] Classical and Hybrid Density-Functional /Classical Molecular Dynamics Study of Dislocation Core in Alumina Ceramic2009
- Author(s)
  K. Tsuruta, T. Koyama, S. Ogata
- Journal Title
  
  Materials Transaction Vol.50,No.5
  
  Pages: 1015-1018
- NAID
  10024814432
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] ナノ機能元素のマルチスケールシミュレーション2009
- Author(s)
  鶴田健二, 小山敏幸、小林亮、尾形修司、兵頭志明
- Journal Title
  
  まてりあ 48
  
  Pages: 303306-303306
- NAID
  10024817468
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] Classical and Hybrid Density-Functional/Classical Molecular Dynamics Study of Dislocation Core in Alumina Ceramic2009
- Author(s)
  K. Tsuruta, T. Koyama, and S. Ogata
- Journal Title
  
  MATERIALS TRANSACTIONS
  
  Volume: 50 Pages: 1015-1018
- NAID
  10024814432
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] Classical and Hybrid Density-Functional/Classical Molecular Dynamics Study of Dislocation Core in Alumina Ceramic2009
- Author(s)
  K.Tsuruta, T.Koyama, S.Ogata
- Journal Title
  
  Materials Transaction 50
  
  Pages: 10151018-10151018
- NAID
  10024814432
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] Development and Implementation of Recursive Coarse-Grained Particle Method for Meso-Scale Simulation2008
- Author(s)
  R. Kobayashi, T. Nakamura, and S. Ogata
- Journal Title
  
  MATERIALS TRANSACTIONS
  
  Volume: 49 Pages: 2541-3549
- NAID
  10024403105
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053007
[Journal Article] Hybrid Quantum-Classical Simulation study of Nano-Interfaces2006
- Author(s)
  Shuji Ogata 他
- Journal Title
  
  Proceedings of the 6^<th> Pacific Rim Conf. on Ceramic and Glass Technology (CD-ROM)
  
  Pages: 16-16
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Hybrid Quartum-Classical Simulation study of Nano-Interfaces2006
- Author(s)
  Shuji Ogata
- Journal Title
  
  Proceedings of the 6^<th> Pacific Rim Conf. on Ceramic and Glass Technology (CD-ROM)
  
  Pages: 16-16
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Concurrent Coupling of Electronic-Density-Functional, Molecular Dynamics, and Coarse-Grained Particles Schemes for Multiscale Simulation of Nanostructured Materials2005
- Author(s)
  Shuji Ogata
- Journal Title
  
  Materials Science Forum 502
  
  Pages: 33-38
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics : Application to stress-dependent reaction of H2O on nanostructured Si2005
- Author(s)
  Shuji Ogata
- Journal Title
  
  Phys.Rev.B. 72
  
  Pages: 45349-45364
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Concurrent Coupling of Electronic-Density-Functional, Molecular Dynamics, and Coarse-Grained Particles Schems for Multiscale Simulation of Nanostructured Materials2005
- Author(s)
  Shuji Ogata 他
- Journal Title
  
  Materials Science Forum 502
  
  Pages: 33-38
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Concurrent Coupling of Electronic-Density-Functional, Molecular Dynamics, and Coarse-Grained Particles Schemes for Multiscale Simulation of Nanostructured Materials2005
- Author(s)
  Shuji Ogata, Takahiro Igarashi
- Journal Title
  
  Materials Science Forum 502
  
  Pages: 33-38
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Buffered-cluster method for hybridization of density-functional theory and classical molecular dynamics : Application to stress-dependent reaction of H2O on nanostructured Si2005
- Author(s)
  Shuji Ogata 他
- Journal Title
  
  Phys. Rev. B. 72
  
  Pages: 45348-45364
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Oxidation Of Aluminum Nanoclusters2005
- Author(s)
  Timothy J.Campbell, Gurcan Aral, Shuji Ogata, Rajiv K.Kalia, Aiichiro Nakano, Priya Vashishta
- Journal Title
  
  Phys.Rev.B. 71
  
  Pages: 205413-205426
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Environment effects of H2O on fracture initiation in Si : a hybrid electronic-density-functional/molecular-dynamics study2004
- Author(s)
  Shuji Ogata, Fuyuki Shimojo, Aiichiro Nakano, Priya Vashishta, Rajiv K. Kalia
- Journal Title
  
  J.Appl.Phys. 95-10
  
  Pages: 5316-5323
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] A Hybrid electronic-density-functional/molecular-dynamics simulation scheme for multiscale simulation of materials on parallel computers : application to silicon and alumina2004
- Author(s)
  Shuji Ogata, Rachid Belkada
- Journal Title
  
  Comp.Mat.Sci. 30
  
  Pages: 189-194
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] A Hybrid electronic-density-functional/molecular-dynamics simulation scheme for multiscale simulation of materials on parallel computers : application to silicon and alumina2004
- Author(s)
  Shuji Ogata 他
- Journal Title
  
  Comp. Mat. Sci. 30
  
  Pages: 189-194
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Environment effects of H2O on fracture initiation in Si : a hybrid electronic-density-functional/molecular-dynamics study2004
- Author(s)
  Shuji Ogata, Fuyuki Shimojo, Aiichiro Nakano, Priya Vashishta, Rajiv K.Kalia
- Journal Title
  
  J.Appl.Phys. 95・10
  
  Pages: 5316-5323
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Environment effects of H2O on fracture initiation in Si : a hybrid electronic-density-functional/molecular-dynamics study2004
- Author(s)
  Shuji Ogata 他
- Journal Title
  
  J. Appl. Phys. 95・10
  
  Pages: 5316-5323
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Effects of H2O on Si Fracture : A Hybrid Quantum-Classical Simulation2004
- Author(s)
  Rachid Belkada, Takahisa Igarashi, Shuji Ogata
- Journal Title
  
  Comp.Mat.Sci. 30
  
  Pages: 195-201
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Effects of H2O on Si Fracture : A Hybrid Quantum-Classical Simulation2004
- Author(s)
  Rachid Belkada, Takahisa Igarashi, Shuji Ogata
- Journal Title
  
  Comp.Mat.Sci 30
  
  Pages: 195-201
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Improvement of Coarse-Grained Particle Method for Multiscale Simulation of Materials2004
- Author(s)
  Tahahiro Igarashi, Shuji Ogata, Hiroshi Iyetomi
- Journal Title
  
  Proceedings of the International Conference on New Frontiers of Process Science and Engineering in Advanced Materials - The 14th Iketani Conference
  
  Pages: 13-18
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Hybrid Quantum-Classical Simulation study of Nano-Interfaces
- Author(s)
  Shuji Ogata, Takahisa Kouno, Takahiro Igarashi
- Journal Title
  
  Proccedings of the 6^<th> pacific Rim Conf.on Ceramic and Glass Technology (2005)
  
  Pages: 16-16
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Journal Article] Improvement of Coarse-Grained Particle Method for Multiscale Simulation of Materials
- Author(s)
  Tahahiro Igarashi, Shuji Ogata, Hiroshi Iyetomi
- Journal Title
  
  Proceedings of the International Conference on New Frontiers of Process Science and Engineering in Advanced Materials - The 14th Iketani Conference - (edited by M.Naka and T.Yamane) (High Temperature Society of Japan, 2004)
  
  Pages: 13-18
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16605005
[Presentation] Moisture-induced weakening of adhesion between polymers and metals2023
- Author(s)
  Shuji Ogata
- Organizer
  ICIAM 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26390
[Presentation] DFT-based Simulations on Protonation Free-Energy and Adhesion Strength of Epoxy Resin in Moist Environment2023
- Author(s)
  Shuji Ogata and Masayuki Uranagase
- Organizer
  Nano Sci. & Tech. 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] DFT-based Simulations on Protonation Free-Energy and Adhesion Strength of Epoxy Resinin Moist Environment2023
- Author(s)
  S. Ogata and M. Uranagase
- Organizer
  Nano Sci. & Tech. 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26390
[Presentation] Weakening of adhesion in moist environment theoretically explained via protonation calculations2023
- Author(s)
  Shuji Ogata
- Organizer
  Advanced Materials Congress 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] Enhanced adhesion of amine-cured epoxy resin and silane-treated aluminum originating from H2O-assisted proton transfer: A first-principles simulation study2023
- Author(s)
  S Ogata, Y Nakamura, S Yamamoto, Y Takahashi, and T Miyamae
- Organizer
  IAA2024
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26390
[Presentation] Weakening of adhesion in moist environment theoretically explained via protonation calculations2023
- Author(s)
  Shuji Ogata
- Organizer
  AMC2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K26390
[Presentation] シラン化合物処理されたアルミニウムとアミン硬化型樹脂との水分で増強される接着の第一原理計算2023
- Author(s)
  尾形修司，中村優希，山本慎太郎，高橋佑輔，宮前孝行
- Organizer
  日本化学会第104春季年会
- Data Source
  KAKENHI-PROJECT-23K26390
[Presentation] How Protonation and Deprotonation Affect Weakening of Epoxy Resin and Silane Coupling: First-Principles Simulation Based on Free Energy Calculation2022
- Author(s)
  Shuji Ogata and Masayuki Uranagase
- Organizer
  BCS-AMC2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] 湿潤環境での無機有機界面のプロトン化と接着力低下に関する第一原理シミュレーション2022
- Author(s)
  尾形修司，浦長瀬正幸
- Organizer
  日本化学会第102春季年会
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] 湿潤環境でのプロトン移動とシランカップリングの耐久性低下に関する第一原理シミュレーション2022
- Author(s)
  尾形修司，浦長瀬正幸
- Organizer
  2022年第69回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] 高速なシミュレーションによる金属と有機液体との化学反応2022
- Author(s)
  尾形修司
- Organizer
  HPCI第９回成果発表会
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] Moisture-Induced Weakening of Adhesion Bonding: First-principles Calculations of Protonation Free-Energy and Bond-Breaking Barrier Energy2022
- Author(s)
  Shuji Ogata and Masayuki Uranagase
- Organizer
  PCM2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] Protonation and Weakening of Epoxy Resin Under Wet Conditions from First-Principles Calculations2021
- Author(s)
  Shuji Ogata and Masayuki Uranagase
- Organizer
  MRS Fall Meeting and Exhibit
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] Adhesion and stability of metal-organic interfaces: large-scale computer simulations2020
- Author(s)
  Shuji Ogata
- Organizer
  Advances in Materials, Physics and Chemistry Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K05246
[Presentation] Large-scale atomistic simulations of solid-liquid interfaces in Li-ion battery, silica, ice, etc.2014
- Author(s)
  Shuji Ogata
- Organizer
  CMRI International Symposium 2014
- Place of Presentation
  Tohoku Univ.
- Year and Date
  2014-01-09
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Large-scale atomistic simulations of solid-liquid interfaces in Li-ion battery, silica, ice, etc.2014
- Author(s)
  S. Ogata
- Organizer
  CMRI International Symposium 2014
- Place of Presentation
  仙台市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Liイオン二次電池負極界面のハイブリッド量子古典シミュレーション2014
- Author(s)
  大庭伸子，尾形修司，河野貴久，小林亮，田村友幸
- Organizer
  日本物理学会第６９回次大会
- Place of Presentation
  平塚市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] シリカガラス中の水分子反応によるクラック初期過程のハイブリッド量子古典シミュレーション2014
- Author(s)
  河野貴久，尾形修司，田村友幸，小林亮
- Organizer
  日本物理学会第６９回次大会
- Place of Presentation
  平塚市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] グラファイト中 Li 拡散に対する Li 間相互作用の影響: ハイブリッド量子古典シミュレーション2013
- Author(s)
  大庭伸子，尾形修司，河野貴久，小林亮，田村友幸，旭良司
- Organizer
  第26回計算力学講演
- Place of Presentation
  佐賀市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] グラファイト中 Li 拡散に対する Li 間相互作用の影響: ハイブリッド量子古典シミュレーション2013
- Author(s)
  大庭伸子，尾形修司，河野貴久，小林亮，田村友幸，旭良司
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 固体電解質皮膜ー電解質液界面のLiイオン通過レートに関する添加塩による増大効果：数千原子規模の第一原理MD2013
- Author(s)
  尾形修司，大庭伸子，河野貴久
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] オーダーN実空間DFT法を用いたハイブリッド量子古典シミュレーション2013
- Author(s)
  尾形修司
- Organizer
  スーパーコンピュータワークショップ2013
- Place of Presentation
  岡崎コンファレンスセンター
- Year and Date
  2013-01-22
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] マルチスケールの大規模シミュレーション：Liイオン電池に関連して2013
- Author(s)
  尾形修司
- Organizer
  第27期CAMMフォーラム本例会
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Large-scale, hybrid quantum-classical simulation of Li diffusion in graphite with vacancy defect2013
- Author(s)
  S. Ogata, T. Kouno, and H. Ohba
- Organizer
  MRS 2013 Spring Meeting
- Place of Presentation
  San Francisco, U.S.A.
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーションによるシリカガラス中の水分子反応2013
- Author(s)
  河野貴久，尾形修司
- Organizer
  第４回CMSI研究会
- Place of Presentation
  柏市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybrid Quantum-Classical Simulation of Micro-Crack Initiation in Silica Glass by Self-Dimerized Water Molecules2013
- Author(s)
  T. Kouno, S. Ogata, T. Tamura, and R. Kobyashi
- Organizer
  MRS 2013 Fall Meeting
- Place of Presentation
  Boston, U.S.A.
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ナノ構造の電子状態から機械的性質までのマルチスケールシミュレーション2013
- Author(s)
  尾形修司，大庭伸子，河野貴久，田中宏一
- Organizer
  第４回CMSI研究会
- Place of Presentation
  柏市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 水分子を含むシリカガラスのクラック初期過程のハイブリッド量子古典シミュレーション2013
- Author(s)
  河野貴久，尾形修司，田村友幸，小林亮
- Organizer
  第26回計算力学講演
- Place of Presentation
  佐賀市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Large-Scale MD Simulation of Quasi Liquid Layer of Ice with Dislocation2013
- Author(s)
  Y. Kajima, S. Ogata, R. Kobayashi, T. Tamura, and Y. Niwa
- Organizer
  Third Internation Conference on Molecular Simulation
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] シリカガラス中の水分子反応に関するハイブリッド量子古典シミュレーション2013
- Author(s)
  河野貴久，尾形修司，田村友幸，小林亮
- Organizer
  日本物理学会2013年秋季大会
- Place of Presentation
  徳島市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] スパコンを活用する大規模な原子論的シミュレーション：方法論の開発と適用例2013
- Author(s)
  尾形修司
- Organizer
  名工大オプトバイオテクノロジー研究センター設立シンポジウム
- Place of Presentation
  名古屋市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Large-scale, first-principles molecular dynamics simulation of Li-ion transport through the interface between SEI and liquid electrolytes in the Li-ion battery,2013
- Author(s)
  S. Ogata, N. Ohba, T. Kouno,
- Organizer
  MRS 2013 Spring Meeting
- Place of Presentation
  San Francisco, U.S.A.
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] マルチスケールの大規模シミュレーション : Liイオン電池に関連して2013
- Author(s)
  尾形修司
- Organizer
  第27期CAMMフォーラム本例会
- Place of Presentation
  東京
- Year and Date
  2013-11-01
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Multi-thousand-atom DFT simulation of Li-ion transfer through boundary between solid-electrolyte interface and liquid electrolyte in Li-ion battery2013
- Author(s)
  S. Ogata, N. Ohba, and T. Kouno
- Organizer
  MRS 2013 Fall Meeting
- Place of Presentation
  Boston, U.S.A.
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーション : その開発と適用例2012
- Author(s)
  尾形修司
- Organizer
  第21回CMDワークショップ
- Place of Presentation
  大阪大学
- Year and Date
  2012-09-04
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] O(N)-DFT法とハイブリッド量子古典シミュレーション2012
- Author(s)
  尾形修司
- Organizer
  第2回CMS I研究会
- Place of Presentation
  東北大学
- Year and Date
  2012-01-30
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] グラファイト中Liの熱拡散に対する電場効果:ハイブリッド量子古典シミュレーション2012
- Author(s)
  大庭伸子, 尾形修司, 小林亮, 田村友幸, 山川俊輔, 旭良司
- Organizer
  日本物理学会第67回年次大会
- Place of Presentation
  関西学院大学
- Year and Date
  2012-03-25
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybrid quantum-classical simulation and its application to Li-ion battery2012
- Author(s)
  Shuji Ogata
- Organizer
  The second AICS international symposium
- Place of Presentation
  Kobe
- Year and Date
  2012-03-01
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 材料中の電子がどんな働きをしているか,みてみたくはないですか?2012
- Author(s)
  尾形修司
- Organizer
  名工大研究協力会第23回技術懇話会
- Place of Presentation
  名古屋工業大学
- Year and Date
  2012-05-15
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybridization of Order-N real-space-grid DFT and classical molecular dynamics for nano-systems2012
- Author(s)
  Shuji Ogata
- Organizer
  The Second International Symposium on Large-Scale Computational Science and Engineering
- Place of Presentation
  Science Council of Japan, Tokyo
- Year and Date
  2012-11-08
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybrid quantum-classical simulation and its application to Li-ion battery2012
- Author(s)
  S.Ogata
- Organizer
  The 2nd AICS international symposium
- Place of Presentation
  神戸市(招待講演)
- Year and Date
  2012-03-01
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーションとその適用例2012
- Author(s)
  尾形修司
- Organizer
  計算材料科学のフロンティア勉強会
- Place of Presentation
  産業技術総合研究所・関西センター
- Year and Date
  2012-03-07
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーションとその適用例2012
- Author(s)
  尾形修司
- Organizer
  計算材料科学のフロンティア勉強会
- Place of Presentation
  産業技術総合研究所・関西センター(招待講演)
- Year and Date
  2012-03-07
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybrid simulation of materials : application to Li diffusion in graphite2012
- Author(s)
  S.Ogata
- Organizer
  1st Int'l workshop on CSTEMMFP
- Place of Presentation
  名古屋大学(招待講演)
- Year and Date
  2012-03-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 時間反転対称性を明示的に取り入れた剛体分子系の動力学アルゴリズム2011
- Author(s)
  鍜島康裕, 樋山みやび, 尾形修司, 田村友幸
- Organizer
  日本機械学会計算力学講演会
- Place of Presentation
  岡山大学
- Year and Date
  2011-10-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子-古典法によるSiO2ガラスの亀裂進展シミュレーション2011
- Author(s)
  中村貴英, 中村貴英, 田村友幸, 尾形修司
- Organizer
  日本機械学会計算力学講演会
- Place of Presentation
  岡山大学
- Year and Date
  2011-10-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子-古典法を用いたSiO2破壊過程の解明2011
- Author(s)
  島田貴章, 中村貴英, 田村友幸, 尾形修司
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学
- Year and Date
  2011-12-05
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッドシミュレーションとその応用 : 大規模 DFT計算から粗視化力学まで2011
- Author(s)
  尾形修司
- Organizer
  第一回マルチスケールモデリングシンポジウム
- Place of Presentation
  大阪大学
- Year and Date
  2011-05-23
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーション:オーダーN型実空間DFT法の開発とLiグラファイト層間化合物への応用2011
- Author(s)
  大庭伸子, 尾形修司, 小林亮, 田村友幸, 旭良司
- Organizer
  日本機械学会計算力学講演会
- Place of Presentation
  岡山大学
- Year and Date
  2011-10-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子-古典シミュレーションによるSiO2の破壊メカニズムの解析2011
- Author(s)
  島田貴章, 中村貴英, 田村友幸, 尾形修司
- Organizer
  日本物理学会秋季大会
- Place of Presentation
  富山大学
- Year and Date
  2011-09-23
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Physical Accuracy of Large-Deformation Dynamics with Improved Coarse-Grained Particle Method2011
- Author(s)
  T.Nakamura, R.Kobayashi, T.Tamura, S.Ogata
- Organizer
  IUMRS-ICA2011
- Place of Presentation
  台北市,台湾
- Year and Date
  2011-09-20
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッドシミュレーションとその応用:大規模DFT計算から粗視化力学まで2011
- Author(s)
  尾形修司
- Organizer
  第一回マルチスケールモデリングシンポジウム
- Place of Presentation
  大阪大学(招待講演)
- Year and Date
  2011-05-23
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Multi-scale simulation for nanomaterials : fron O(N)-DFT to coarse-graining2011
- Author(s)
  S.Ogata
- Organizer
  MSBSM2011
- Place of Presentation
  京都大学(招待講演)
- Year and Date
  2011-09-11
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Multi-scale simulation for nanomaterials : from O(N)-DFT to coarse-graining2011
- Author(s)
  Shuji Ogata
- Organizer
  MSBSM2011
- Place of Presentation
  Kyoto
- Year and Date
  2011-09-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 第一原理引張試験によるシリカガラスの破壊解明及び水分子が与える影響2011
- Author(s)
  水越智彦, 中村貴英, 田村友幸, 尾形修司
- Organizer
  第25回分子シミュレーション討論会
- Place of Presentation
  東京工業大学
- Year and Date
  2011-12-05
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Divide-and-Conquer型実空間DFT法を用いたハイブリッド量子古典シミュレーション2011
- Author(s)
  大庭伸子, 尾形修司, 小林亮, 田村友幸, 旭良司
- Organizer
  日本物理学会秋季大会
- Place of Presentation
  富山大学
- Year and Date
  2011-09-21
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 時間反転対称性を明示的に取り入れた剛体分子系の動力学アルゴリズム2011
- Author(s)
  鍜島康裕, 樋山みやび, 尾形修司, 田村友幸
- Organizer
  日本物理学会秋季大会
- Place of Presentation
  富山大学
- Year and Date
  2011-09-22
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子-古典法によるSiO2の破壊メカニズム解析シミュレーション2011
- Author(s)
  島田貴章, 中村貴英, 田村友幸, 尾形修司
- Organizer
  日本機械学会計算力学講演会
- Place of Presentation
  岡山大学
- Year and Date
  2011-10-10
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] マルチスケール・ハイブリッド計算による欠陥機能2011
- Author(s)
  尾形修司
- Organizer
  東北大学金属材料研究所ワークショップ
- Place of Presentation
  東北大学(招待講演)
- Year and Date
  2011-10-27
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] シリカガラスの第一原理引張試験:破壊における水分子の影響2011
- Author(s)
  水越智彦, 中村貴英, 田村友幸, 尾形修司
- Organizer
  第21回日本MRS学術シンポジウム
- Place of Presentation
  横浜市開港記念会館
- Year and Date
  2011-12-19
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] マルチスケール・ハイブリッド計算による欠陥機能2011
- Author(s)
  尾形修司
- Organizer
  東北大学金属材料研究所ワークショップ
- Place of Presentation
  東北大学
- Year and Date
  2011-10-28
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 原子-粗視化粒子ハイブリッド法による亀裂進展の大規模シミュレーション2010
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  日本物理学会 2010年年次大会
- Place of Presentation
  岡山大学
- Year and Date
  2010-03-23
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] Hybrid MD-CGP simulation of the crack propagation2010
- Author(s)
  R.Kobayashi, T.Nakamura, S.Ogata
- Organizer
  Asian Consortium on Computational Materials Science -- Virtual Organization (ACCMS-VO)
- Place of Presentation
  東北大学
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 原子-粗視化粒子のハイブリッド法による亀裂進展のマルチスケール解析2010
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  日本金属学会 2010年春期大会 S3機能元素のナノ材料科学
- Place of Presentation
  筑波大学
- Year and Date
  2010-03-30
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 酸化物セラミックスの転位と偏析に関するマルチスケール解析2010
- Author(s)
  鶴田健二, 小山敏幸, 尾形修司, 兵頭志明
- Organizer
  日本物理学会 2010年年次大会
- Place of Presentation
  岡山大学
- Year and Date
  2010-03-20
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 酸化物セラミックスの転位偏析に関するマルチスケール解析2010
- Author(s)
  鶴田健二, 林明宏, 小山敏幸, 尾形修司, 兵頭志明
- Organizer
  日本金属学会 2010年春期大会 S3機能元素のナノ材料科学
- Place of Presentation
  筑波大学
- Year and Date
  2010-03-30
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 亀裂進展のマルチスケール解析2009
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  第23回分子シミュレーション討論会
- Place of Presentation
  吹上ホール,名古屋
- Year and Date
  2009-12-01
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] アルミナ中の転位運動と添加元素効果:ハイブリッド量子/古典分子動力学2009
- Author(s)
  鶴田健二, 林明宏, 小山敏幸, 尾形修司, 兵頭志明
- Organizer
  日本セラミックス協会第22回秋季シンポジウムシンポジウムL「機能元素のナノ材料科学」
- Place of Presentation
  愛媛大学
- Year and Date
  2009-09-18
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] Hybrid atomistic/coarse-grained-particle simulations of crack propagations2009
- Author(s)
  R.Kobayashi, T.Nakamura, S.Ogata
- Organizer
  International Conference of Computational Methods in Science and Engineering
- Place of Presentation
  Rhodes, Greece
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 原子-粗視化粒子ハイブリッド法による亀裂進展のマルチスケール解析2009
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  日本機械学会第22回計算力学講演会・オーザナイズドセッション1「固体物理/流体物理のマルチフィジックス/マルチスケール解析」
- Place of Presentation
  金沢大学
- Year and Date
  2009-10-11
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 亀裂進展のマルチスケール解析:原子-粗視化粒子のハイブリッド法2009
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  日本物理学会2009年秋季大会
- Place of Presentation
  熊本大学
- Year and Date
  2009-09-26
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] ハイブリッド量子/古典分子動力学法によるアルミナ転位運動と添加元素効果解析2009
- Author(s)
  鶴田健二, 林明宏, 小山敏幸, 尾形修司, 兵頭志明
- Organizer
  日本機械学会第22回計算力学講演会・オーザナイズドセッション1「固体物理/流体物理のマルチフィジックス/マルチスケール解析」
- Place of Presentation
  金沢大学
- Year and Date
  2009-10-11
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] Large-Scale Simulation of Oscillating Metal-Nanorod : Application of the Hybrid Molecular-Dynamics/Coarse-Grained-Particle Approach2008
- Author(s)
  Ryo Kobayashi, Takahide Nakamura, and Shuji Ogata
- Organizer
  The Fourth International Conference on Multiscale Materials Modeling
- Place of Presentation
  Florida, U.S.A
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 大規模変形に起因する欠陥生成の解析 : 原子・粗視化粒子のハイブリッド法2008
- Author(s)
  小林亮, 中村貴英, 尾形修司
- Organizer
  日本金属学会2008年秋期大会
- Place of Presentation
  熊本大学
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] α-Al2O3の欠陥と不純物挙動に関するマルチスケール解析 : ハイブリッド量子/古典分子動力学計算2008
- Author(s)
  鶴田健二, 林明宏, 尾形修司, 小山敏幸, 東辻千枝子, 東辻浩夫
- Organizer
  日本金属学会2008年秋期大会
- Place of Presentation
  熊本大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PLANNED-19053007
[Presentation] 大規模な水分子クラスターの外部電場に対する時間応答に関する剛体動力学シミュレーション
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子-古典シミュレーションによるLiグラファイト層間化合物と電解質との界面でのLi輸送
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 固体電解質皮膜と電解液との界面を通じたLiイオンの移動に関する数千原子規模の第一原理MD
- Author(s)
  尾形修司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典法に適したオーダーN型の実空間グリッド密度汎関数コードの開発
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] シリカ中のクラック生成に対する含有水分子の効果：ハイブリッド量子古典シミュレーション
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Hybridization of Order-N real-space-grid DFT and classical molecular dynamics for nano-systems
- Author(s)
  S. Ogata
- Organizer
  The Second International Symposium on Large-Scale Computational Science and Engineering
- Place of Presentation
  Science Council of Japan
- Invited
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典法によるデバイス材料のマルチスケールシミュレーション
- Author(s)
  尾形修司
- Organizer
  HPCI中間報告会
- Place of Presentation
  イイノカンファレンスセンター
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 高圧下でのグラファイトのダイアモンド化反応に対する層間挿入原子の効果
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Accuracy and Timing of Divide-and-Conquer-Type Real-Space Grid DFT (DC-RGDFT) for Hybrid Quantum-Classical Simulation
- Author(s)
  S. Ogata
- Organizer
  MMM2012
- Place of Presentation
  Singapore
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 空孔欠陥を含むグラファイト中の Li 拡散に関するハイブリッド量子古典シミュレーション
- Author(s)
  尾形修司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 分割統治型実空間密度汎関数(DC-RGDFT)コードの性能評価
- Author(s)
  尾形修司
- Organizer
  第３回CMSI研究会
- Place of Presentation
  岡崎カンファレンスセンター
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] オーダーN 実空間DFT法を用いたハイブリッド量子古典シミュレーション
- Author(s)
  尾形修司
- Organizer
  スーパーコンピュータワークショップ2013
- Place of Presentation
  岡崎カンファレンスセンター
- Invited
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] Development of Order-N Real-Space DFT and its Concurrent Hybridization with Molecular Dynamics
- Author(s)
  S. Ogata
- Organizer
  MRS2012 Spring Meeting
- Place of Presentation
  San Francisco
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ハイブリッド量子古典シミュレーション:その開発と適用例
- Author(s)
  尾形修司
- Organizer
  第21回CMDワークショップ
- Place of Presentation
  大阪大学
- Invited
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] シリカ中での水分子反応に関するハイブリッド量子古典シミュレーション
- Author(s)
  尾形修司
- Organizer
  日本物理学会第68回年次大会
- Place of Presentation
  広島大学
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] 分子動力学法を用いた放熱材料のフィラ-樹脂界面での熱伝導率解析
- Author(s)
  尾形修司
- Organizer
  日本金属学会2012年秋季大会
- Place of Presentation
  愛媛大学
- Data Source
  KAKENHI-PROJECT-23310074
[Presentation] ナノサイズのSi部品間のウェハーボンディング過程に関するハイブリッド量子古典シミュレーション
- Author(s)
  尾形修司
- Organizer
  第25回計算力学講演会
- Place of Presentation
  神戸市
- Data Source
  KAKENHI-PROJECT-23310074

1. ICHIMARU Setsuo (80010734)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
2. TSURUTA Kenji (00304329)

# of Collaborated Projects: 1 results

# of Collaborated Products: 9 results
3. KOYAMA Toshiyuki (80225599)

# of Collaborated Projects: 1 results

# of Collaborated Products: 9 results
4. HYODO Shiaki (20394520)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
5. OHBA Nobuko (80394964)

# of Collaborated Projects: 1 results

# of Collaborated Products: 19 results
6. TAMURA Tomoyuki (90415711)

# of Collaborated Projects: 1 results

# of Collaborated Products: 28 results
7. ASAHI Ryoji (80394625)

# of Collaborated Projects: 1 results

# of Collaborated Products: 8 results
8. YAMAKAWA Shunsuke (10394777)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
9. KOBAYASHI Ryo (70560126)

# of Collaborated Projects: 1 results

# of Collaborated Products: 18 results
10. SHIBAHASHI Hiromoto (30126081)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. OSAKI Yoji (30011547)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 家富洋 (20168090)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 宮前孝行 (80358134)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
14. VAN HORN H.m.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. THOMAS J.h.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. HUBBARD W.b.

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

OGATA Shuji 尾形 修司

Ogata Shuji 尾形 修司

Research Projects

Research Products

Co-Researchers

Understanding moisture-induced adhesion weakening via first-principles protonation calculationPrincipal Investigator

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Development of chemical reaction acceleration method for solid-liquid interfacesPrincipal Investigator

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Development of hybrid quantum-classical simulation scheme for chemical reaction in nano-scale liquid-solid interface under electric fieldPrincipal Investigator

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Nanodopant Analysis via Multiscale Numerical Method

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Multiscale Simulation of Atomic-Scale Friction using Computation GridPrincipal Investigator

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Astrophysical Dense Plasmas in Degenerate Stars

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Phase Transitions in Dense Astrophysical Plasmas

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[Book] A hybrid quantum-classical simulation study on the Li diffusion in Li-graphite intercalation compounds, TSUBAME E-Science Journal, Vol.82013

Author(s)

Data Source

[Book] ナノテク材料のハイブリッド量子古典シミュレーション 日本シミュレーション学会誌「シミュレーション」, Vol.30,No.42012

Author(s)

Data Source

[Book] 固体のためのハイブリッド原子ー粗視化粒子シミュレーション法 分子シミュレーション研究会誌「アンサンブル」,Vol.13, No.32011

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Data Source

[Journal Article] Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method2023

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DOI

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[Journal Article] Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations2022

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DOI

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[Journal Article] Enhanced Heat Transfer through Filler-Polymer Interface by Surface-Coupling Agent in Heat-Dissipation Material: A Non-equilibrium Molecular Dynamics Study2013

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[Journal Article] Enhanced Heat Transfer through Filler-Polymer Interface by Surface-Coupling Agent in Heat-Dissipation Material : A Non-equilibrium Molecular Dynamics Study2013

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[Journal Article] Multi-Thousand-Atom DFT Simulation of Li-Ion Transfer through the Boundary between the Solid-Electrolyte Interface and Liquid Electrolyte in a Li-Ion Battery2013

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Linear scaling algorithm of real-space density functional theory of electrons with correlated overlapping domains2012

OGATA Shuji 尾形修司

Ogata Shuji 尾形修司

[Book] ナノテク材料のハイブリッド量子古典シミュレーション日本シミュレーション学会誌「シミュレーション」, Vol.30,No.42012

[Book] 固体のためのハイブリッド原子ー粗視化粒子シミュレーション法分子シミュレーション研究会誌「アンサンブル」,Vol.13, No.32011