Yamamoto Takeshi 山本武志

… Alternative Names

YAMAMOTO Takeshi 山本武志

YAMAMOTO Takashi 山本武志

Less

Researcher Number	30397583
Other IDs
Affiliation (Current)	2025: 京都大学, 理学研究科, 助教
Affiliation (based on the past Project Information) *help	2015 – 2023: 京都大学, 理学研究科, 助教 2011 – 2014: 京都大学, 理学(系)研究科(研究院), 助教 2011: 京都大学, 大学院・理学研究科, 助教 2010: 京都大学, 理学研究科, 助教 2009: Kyoto University, 大学院・理学研究科, 助教 … More 2007: Kyoto University, Chemistry Department, Assistant professor 2006: 京都大学, 大学院理学研究科, 助手 2005: 京都大学, 大学院・理学研究科, 助手 Less
Review Section/Research Field	Principal Investigator Physical chemistry / Basic Section 32010:Fundamental physical chemistry-related / Complex systems Except Principal Investigator Physical chemistry / Science and Engineering / Science and Engineering
Keywords	Principal Investigator 統計力学 / 自由エネルギー / 酵素反応 / 化学反応 / QM/MM / 溶媒効果 / 励起状態 / 溶液反応 / 量子化学 / 物理化学 … More / 構造予測 / シミュレーション / 超分子 / 分子動力学 / 自己組織化 / ダイナミクス / 電子状態 / 溶液内反応 / MM法 / QM / 溶媒内反応 / 触媒 / QM・MM法 / タンパク質 / QM/MM法 / 生体分子 / 化学物理 / 分子シミュレーション / 加水分解 / 生物物理 / 溶媒和 / 経路積分 / 遷移状態理論 / 量子効果 / 反応速度 … More Except Principal Investigator 自由エネルギー / 酵素反応 / 溶液 / ダイナミックス / 化学反応 / polarizable charge model / RISM-SCF method / reactions in solution / enzymatic reactions / dynamics / free energy surfaces / chemical reactions / 電荷移動 / 円錐交差 / 電子緩和 / 生体 / 分極可能電荷モデル / RISM-SCF法 / 自己集合化 / 液体の積分方程式 / 自己組織化系 / 電子状態理論 / 反応ネットワーク / 量子化学 / エネルギーランドスケープ / 粗視化モデル / 液体の積分方程式理論 / マスター方程式 / 自己集合 / 励起状態 / 理論化学 Less

超分子自己組織化系の構造予測のための計算手法開発と分子設計への応用Principal Investigator
- Principal Investigator
  
  山本武志
- Project Period (FY)
  2019 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Kyoto University
Molecular theories for self-assembly and order formation
- Principal Investigator
  
  SATO Hirofumi
- Project Period (FY)
  2013 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
Development of novel simulation methods for excited-state reaction dynamics in condensed phasesPrincipal Investigator
- Principal Investigator
  
  YAMAMOTO Takeshi
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
多中心プロトン移動を含むATP加水分解とその自由エネルギープロファイルの理論研究Principal Investigator
- Principal Investigator
  
  山本武志
- Project Period (FY)
  2009 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Complex systems
- Research Institution
  Kyoto University
Free energy surfaces of chemical reactions in solution and protein environmentsPrincipal Investigator
- Principal Investigator
  
  YAMAMOTO Takeshi, 加藤重樹
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Free Energy Surfaces and Dynamics of Chemical Reactions in Solution
- Principal Investigator
  
  KATO Shigeki
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University
第一原理的な量子反応速度理論の開発とその酵素触媒反応への応用Principal Investigator
- Principal Investigator
  
  山本武志
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University
Free energy Surfaces and Dynamics of Chemical Reactions in Solutions and Biological Systems
- Principal Investigator
  
  KATO Shigeki
- Project Period (FY)
  2005 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University

All 2020 2019 2018 2017 2015 2014 2013 2012 2011 2010 2007 2006 2005 Other

All Journal Article Presentation

[Journal Article] Coarse-grained modeling of nanocube self-assembly system and transition network analyses2020
- Author(s)
  Imamura Kosuke、Yamamoto Takeshi、Sato Hirofumi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 742 Pages: 137135-137135
- DOI
  10.1016/j.cplett.2020.137135
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K05385, KAKENHI-PROJECT-17H03009
[Journal Article] Self-Assembly of Nanocubic Molecular Capsules via Solvent-Guided Formation of Rectangular Blocks2018
- Author(s)
  Yamamoto Takeshi, Arefi Hadi, Shanker Sudhanshu, Sato Hirofumi, Hiraoka Shuichi
- Journal Title
  
  The Journal of Physical Chemistry Letters
  
  Volume: 9 Issue: 20 Pages: 6082-6088
- DOI
  10.1021/acs.jpclett.8b02624
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25102002
[Journal Article] Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π -conjugated molecule2017
- Author(s)
  Fujita Takatoshi、Haketa Yohei、Maeda Hiromitsu、Yamamoto Takeshi
- Journal Title
  
  Organic Electronics
  
  Volume: 49 Pages: 53-63
- DOI
  10.1016/j.orgel.2017.06.028
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25102002, KAKENHI-PROJECT-26288042, KAKENHI-ORGANIZER-25102001, KAKENHI-PLANNED-26107007
[Journal Article] Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water2017
- Author(s)
  Fujita Takatoshi、Yamamoto Takeshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 147 Issue: 1 Pages: 014110-014110
- DOI
  10.1063/1.4990502
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25102002, KAKENHI-ORGANIZER-25102001
[Journal Article] Critical Role of Deep Hydrogen Tunneling to Accelerate the Antioxidant Reaction of Ubiquinol and Vitamin E2014
- Author(s)
  Taichi Inagaki and Takeshi Yamamoto
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 118 Issue: 4 Pages: 937-950
- DOI
  10.1021/jp410263f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24550022, KAKENHI-PLANNED-25102002
[Journal Article] Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect2014
- Author(s)
  Taichi Inagaki, Hiroshi Nakano, Shinji Aono, Takeshi Yamamoto
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 118 Issue: 20 Pages: 5499-5508
- DOI
  10.1021/jp501212y
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24550022
[Journal Article] Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation2013
- Author(s)
  H. Nakano, T. Yamamoto
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 9 Issue: 1 Pages: 188-203
- DOI
  10.1021/ct300831t
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010, KAKENHI-PROJECT-24550022
[Journal Article] Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent2012
- Author(s)
  H. Nakano, T. Yamamoto
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 136 Issue: 13 Pages: 134107-134107
- DOI
  10.1063/1.3699234
- NAID
  120005439722
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010, KAKENHI-PROJECT-24550022
[Journal Article] Including charge penetration effects into the ESP derived partial charge operator2012
- Author(s)
  H. Nakano, T. Yamamoto
- Journal Title
  
  Chemical. Physics. Letters
  
  Volume: 546 Pages: 80-85
- DOI
  10.1016/j.cplett.2012.07.046
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010, KAKENHI-PROJECT-24550022
[Journal Article] Ab Initio Trajectory Study on Triplet Ketene Photodissociation via Statistical Sampling of the Crossing Seam2011
- Author(s)
  Y. Ogihara, T. Yamamoto, S. Kato
- Journal Title
  
  Journal of Chemical Theory and Computatio
  
  Volume: 7 Issue: 8 Pages: 2507-2519
- DOI
  10.1021/ct200367y
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Solution reaction space Hamiltonian based on an electrostatic potential representation of solvent dynamics2011
- Author(s)
  S. Aono, T. Yamamoto, S. Kato
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 134 Issue: 14 Pages: 144108-144108
- DOI
  10.1063/1.3572057
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Multireference coupled cluster calculation of the dissociation energy profile of triplet ketene2011
- Author(s)
  Y. Ogihara, T. Yamamoto, S. Kato
- Journal Title
  
  Chemical. Physics. Letters
  
  Volume: 511 Issue: 1-3 Pages: 28-32
- DOI
  10.1016/j.cplett.2011.05.067
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Proton-Coupled Electron Transfer of the Phenoxyl/Phenol Couple: Effect of Hartree-Fock Exchange on Transition Structures2011
- Author(s)
  T. Inagaki, T. Yamamoto, S. Kato
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 32 Issue: 14 Pages: 3081-3091
- DOI
  10.1002/jcc.21892
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Solution reaction space Hamiltonian based on an electrostatic potential representation of solvent dynamics2011
- Author(s)
  S.Aono, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 134
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Solution reaction space Hamiltonian based on an electrostatic potential representation of solvent dynamics2011
- Author(s)
  S.Aono, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 134
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21118508
[Journal Article] Quantum Mechanical Reaction Probability of Triplet Ketene at the Multireference Second-Order Perturbation Level of Theory2010
- Author(s)
  Y. Ogihara, T. Yamamoto, S. Kato
- Journal Title
  
  Journal of Physical Chemistry A
  
  Volume: 114 Issue: 37 Pages: 9981-9990
- DOI
  10.1021/jp104089m
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] A wave-function based approach for polarizable charge model : Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H.Nakano, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics 132
  
  Pages: 44106-44106
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21118508
[Journal Article] A wave-function based approach for polarizable charge model : Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H.Nakano, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics 132
  
  Pages: 44106-44106
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] A wave-function based approach for polarizable charge model : Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H.Nakano, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 132
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21118508
[Journal Article] A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H. Nakano, T. Yamamoto, S. Kato
- Journal Title
  
  Journal of Chemical Physics 113
  
  Pages: 44106-44106
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066008
[Journal Article] A wave-function based approach for polarizable charge model : Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H.Nakano, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics 132
  
  Pages: 44106-44106
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066008
[Journal Article] A wavefunction based approach for polarizable charge model : Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H.Nakano, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics
  
  Volume: 132
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids2010
- Author(s)
  H. Nakano T. Yamamoto, S. Kato
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 132 Issue: 7 Pages: 44106-44106
- DOI
  10.1063/1.329887
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Quantum mechanical reaction probability of triplet ketene at the multireference second-order perturbation level of theory2010
- Author(s)
  Y.Ogihara, T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Physical Chemistry A
  
  Volume: 114 Pages: 9981-9990
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Proton transfer studied using a combined ab initio reactive potential energy surface with quantum path integral methodology2010
- Author(s)
  K.F.Wong, J.L.Sonnenberg, F.Paesani, T.Yamamoto, et al
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 6 Pages: 2566-2580
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Preferred dissociative mechanism of phosphate monoester hydrolysis in low dielectric environments2010
- Author(s)
  T.Yamamoto
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 500 Pages: 263-266
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-21118508
[Journal Article] Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology2010
- Author(s)
  K.F. Wong, J.L. Sonnenberg, F. Paesani, T. Yamamoto, J. Vanicek, W. Zhang, H.B. Schlegel, D.A. Case, T.E. Cheatham, W.H. Miller, G.A. Voth
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 6 Issue: 9 Pages: 2566-2580
- DOI
  10.1021/ct900579k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21350010
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation: A ubiquinol complex in solution2007
- Author(s)
  T. Yamamoto, S. Kato
- Journal Title
  
  Journal of Chemical Physics 126,15
  
  Pages: 224513-224513
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066008
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation: A ubiquinol complex in solution2007
- Author(s)
  T. Yamamoto and S. Kato
- Journal Title
  
  Journal of Chemical Physics 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17350007
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation: A ubiquinol complex in solution2007
- Author(s)
  T. Yamamoto and S. Kato
- Journal Title
  
  Journal of Chemical Physics 126
  
  Pages: 22451415-22451415
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18066008
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation : A ubiquinol complex in solution2007
- Author(s)
  T. Yamamoto, S. Kato
- Journal Title
  
  J. Chem. Phys. 126
  
  Pages: 224514-224528
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17350007
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation2007
- Author(s)
  T.Yamamoto, S.Kato
- Journal Title
  
  Journal of Chemical Physics 126(accpted)
- Data Source
  KAKENHI-PROJECT-17750013
[Journal Article] Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation2006
- Author(s)
  S.Yang, T.Yamamoto, W.H.Miller
- Journal Title
  
  Journal of Chemical Physics 124
  
  Pages: 84102-84102
- Data Source
  KAKENHI-PROJECT-17750013
[Journal Article] Connection between the direct and mapping forms of the classical propagator2006
- Author(s)
  T.Yamamoto
- Journal Title
  
  Journal of Chemical Physics 124
  
  Pages: 146103-146103
- Data Source
  KAKENHI-PROJECT-17750013
[Journal Article] Path integral evaluation of the quantum instanton rate constant for proton transfer in a polar solvent2005
- Author(s)
  T.Yamamoto, W.H.Miller
- Journal Title
  
  Journal of Chemical Physics 122
- Data Source
  KAKENHI-PROJECT-17750013
[Journal Article] Path-integral virial estimator based on the scaling of fluctuation coordinates : Application to quantum clusters with fourth-order propagators2005
- Author(s)
  T.M.Yamamoto
- Journal Title
  
  Journal of Chemical Physics 123
- Data Source
  KAKENHI-PROJECT-17750013
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation : A ubiquinol complex in solution
- Author(s)
  T.Yamamoto, S.Kato
- Journal Title
  
  J. Chem. Phys (in press)
- Data Source
  KAKENHI-PROJECT-17350007
[Journal Article] Ab initio calculation of proton-coupled electron transfer rates in the external-potential representation : A ubiquinol complex in solution
- Author(s)
  T.Yamamoto, S.Kato
- Journal Title
  
  J.Chem.Phys. (in press)
- Data Source
  KAKENHI-PROJECT-18066008
[Presentation] 超分子自己組織化系の構造予測と溶媒・ゲスト分子による構造変化の研究2019
- Author(s)
  山本武志
- Organizer
  第13回分子科学討論会（名古屋）
- Data Source
  KAKENHI-PROJECT-19K05385
[Presentation] Molecular theories for self-asembly and order formation2018
- Author(s)
  Hirofumi Sato; Takeshi Yamamoto; Sudhanshu Shanker; Hadi Arefi
- Organizer
  The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] Supramolecular polymer elongation studied by replica-exchange with solute tempering molecular dynamics simulation2018
- Author(s)
  Hadi Arefi; Takeshi Yamamoto; Hirofumi Sato
- Organizer
  The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] Molecular dynamics and enhanced sampling simulation of nanocapsule formation and spontaneous shape conversion via guest molecules2018
- Author(s)
  Sudhanshu Shanker; Takeshi Yamamoto; Hirofumi Sato
- Organizer
  The 6th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] 溶液中ナノキューブ自己組織化過程の自由エネルギー解析2015
- Author(s)
  山本武志
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学・大岡山キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] Self assembly of gear-shaped amphiphiles into a molecular capsule (nanocube): computational study2015
- Author(s)
  Takeshi Yamamoto and Hirofumi Sato
- Organizer
  The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
- Place of Presentation
  九州大学西新プラザ
- Year and Date
  2015-11-22
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] Molecular theories for self-organization and order formation2015
- Author(s)
  Hirofumi Sato and Takeshi Yamamoto
- Organizer
  The 4th International Symposium on Dynamical Ordering of Biomolecular Systems for Creation of Integrated Functions
- Place of Presentation
  九州大学西新プラザ
- Year and Date
  2015-11-22
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25102002
[Presentation] 電荷密度を用いた平均場 QM/MM 自由エネルギー計算2013
- Author(s)
  中農浩史、山本武志
- Organizer
  第16回理論化学討論会2013福岡
- Place of Presentation
  福岡市　健康づくりサポートセンター
- Data Source
  KAKENHI-PROJECT-24550022
[Presentation] トンネル効果と反応物錯体形成が引き起こす抗酸化反応の活性化: ユビキノール-ビタミンE 間の水素移動反応2013
- Author(s)
  稲垣泰一、山本武志
- Organizer
  第７回分子科学討論会2013京都
- Place of Presentation
  京都市　京都テルサ
- Data Source
  KAKENHI-PROJECT-24550022
[Presentation] Large tunneling effects in hydrogen transfer reaction: Antioxidant reaction of ubiquinol and vitamin E2013
- Author(s)
  T. Inagaki and T. Yamamoto
- Organizer
  International Symposium on "The Advent of quantum and classical dissipative theory"Institute of Molecular Science
- Place of Presentation
  Okazaki, Japan
- Year and Date
  2013-03-07
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Large tunneling effects in solution-phase H transfer reaction: Antioxidant reaction of ubiquinol and vitamin E derivative2012
- Author(s)
  T. Inagaki, T. Yamamoto
- Organizer
  14th International Congress of Quantum Chemistry
- Place of Presentation
  Colorado, USA
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] MF-QM/MM 法による化学反応の自由エネルギー計算と溶液・酵素反応への応用2012
- Author(s)
  山本武志、中農浩史
- Organizer
  第6回分子科学討論会2012
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] MF-QM/MM法による化学反応の自由エネルギー計算と溶液・酵素反応への応用2012
- Author(s)
  山本武志
- Organizer
  分子科学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] MF-QM/MM法による化学反応の自由エネルギー計算と溶液・酵素反応への応用2012
- Author(s)
  山本武志
- Organizer
  分子科学討論会
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PROJECT-24550022
[Presentation] QM/MM計算における波動関数の統計揺らぎの効果と平均場近似の妥当性の検証2012
- Author(s)
  中農浩史、山本武志
- Organizer
  第6回分子科学討論会2012
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] 溶液内水素移動反応のトンネリング効果:ユビキノール-ビタミンEの抗酸化反応2012
- Author(s)
  稲垣泰一、山本武志
- Organizer
  第6回分子科学討論会2012
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] 平均場QM/MM法のより正確な計算手法の開発2011
- Author(s)
  中農浩史、山本武志
- Organizer
  第5回分子科学討論会2011
- Place of Presentation
  札幌
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] 溶液内におけるフェノール誘導体の電子・プロトン移動反応の理論的研究2011
- Author(s)
  稲垣泰一、山本武志
- Organizer
  第5回分子科学討論会2011
- Place of Presentation
  札幌
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Free energy profile for the hydrogen transfer reaction of ubiquinol complex in ethanol2011
- Author(s)
  T. Inagaki, T. Yamamoto
- Organizer
  2011 KAIST-Kyoto University Chemistry Symposium
- Place of Presentation
  Korea
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Some numerical quests for accurate quantum dynamics in gas and condensed phases2010
- Author(s)
  山本武志
- Organizer
  The 69th Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  分子科学研究所 (名古屋)
- Year and Date
  2010-02-21
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Some numerical quests for accurate quantum dynamics in gas and condensed phases2010
- Author(s)
  山本武志
- Organizer
  The 69th Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  分子科学研究所(名古屋)
- Year and Date
  2010-02-21
- Data Source
  KAKENHI-PROJECT-18066008
[Presentation] 分極可能力場と組み合わせた平均場QM/MM法による化学反応の自由エネルギー計算2010
- Author(s)
  中農浩史、山本武志
- Organizer
  第13回理論化学討論会
- Place of Presentation
  北海道
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] QM/MM法に基づく化学反応の自由エネルギー計算と反応経路の探索2010
- Author(s)
  山本武志
- Organizer
  IMSスーパーコンピュータワークショップ
- Place of Presentation
  分子科学研究所(名古屋)
- Year and Date
  2010-01-13
- Data Source
  KAKENHI-PROJECT-18066008
[Presentation] Some numerical quests for accurate quantum molecular dynamics2010
- Author(s)
  山本武志
- Organizer
  第69回岡崎カンファレンス"New frontier in Quanturn Chemical Dynamics"
- Place of Presentation
  分子科学研究所(名古屋)(招待)
- Year and Date
  2010-02-18
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] ユビキノール-トコフェロール間における水素移動反応の理論的研究2010
- Author(s)
  稲垣泰一、山本武志、加藤重樹
- Organizer
  第4回分子科学討論会2010
- Place of Presentation
  大阪
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] 溶液中ATP加水分解の自由エネルギー変化の分子論的解釈2010
- Author(s)
  山本武志
- Organizer
  第48回(2010年度)日本生物物理学会年会
- Place of Presentation
  東北大学(招待講演)
- Year and Date
  2010-09-21
- Data Source
  KAKENHI-PUBLICLY-21118508
[Presentation] QM/MM法に基づく化学反応の自由エネルギー計算と反応経路の探索2010
- Author(s)
  山本武志
- Organizer
  IMSスーパーコンピュータワークショップ
- Place of Presentation
  分子科学研究所(名古屋)
- Year and Date
  2010-01-13
- Data Source
  KAKENHI-PUBLICLY-21118508
[Presentation] 溶液中ATP加水分解エネルギーの分子論的解釈2010
- Author(s)
  山本武志
- Organizer
  日本生物物理学会年会
- Place of Presentation
  東北大学(仙台)(招待)
- Year and Date
  2010-09-21
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Some numerical quests for accurate quantum dynamics in gas and condensed phases2010
- Author(s)
  山本武志
- Organizer
  The 69th Okazaki Conference on "New Frontier in Quantum Chemical Dynamics"
- Place of Presentation
  分子科学研究所(名古屋)
- Year and Date
  2010-02-21
- Data Source
  KAKENHI-PUBLICLY-21118508
[Presentation] 分極可能力場と組み合わせた平均場QM/MM法による化学反応の自由エネルギー計算2010
- Author(s)
  中農浩史、山本武志
- Organizer
  第4回分子科学討論会2010
- Place of Presentation
  大阪
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] QM/MM法に基づく化学反応の自由エネルギー計算と反応経路の探索2010
- Author(s)
  山本武志
- Organizer
  IMSスーパーコンピュータワークショップ
- Place of Presentation
  分子科学研究所 (名古屋)
- Year and Date
  2010-01-13
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] QM/MM法による反応自由エネルギーの計算と反応経路の探索2010
- Author(s)
  山本武志
- Organizer
  スーパーコンピュータワークショップ2010
- Place of Presentation
  分子科学研究所(名古屋)(招待)
- Year and Date
  2010-01-13
- Data Source
  KAKENHI-PROJECT-21350010
[Presentation] Supramolecular binding thermodynamics of a gear-shaped nanocube
- Author(s)
  Takeshi Yamamoto, Ryohei Kirihara, Taichi Inagaki, Hirofumi Sato
- Organizer
  Computational Science Workshop 2014
- Place of Presentation
  AIST, Tsukuba
- Year and Date
  2014-08-20 – 2014-08-22
- Data Source
  KAKENHI-PROJECT-24550022

1. KATO Shigeki (20113425)

# of Collaborated Projects: 3 results

# of Collaborated Products: 19 results
2. SATO Hirofumi (70290905)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results

Yamamoto Takeshi 山本 武志

YAMAMOTO Takeshi 山本 武志

YAMAMOTO Takashi 山本 武志

Research Projects

Research Products

Co-Researchers

超分子自己組織化系の構造予測のための計算手法開発と分子設計への応用Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Molecular theories for self-assembly and order formation

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of novel simulation methods for excited-state reaction dynamics in condensed phasesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

多中心プロトン移動を含むATP加水分解とその自由エネルギープロファイルの理論研究Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Free energy surfaces of chemical reactions in solution and protein environmentsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Free Energy Surfaces and Dynamics of Chemical Reactions in Solution

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

第一原理的な量子反応速度理論の開発とその酵素触媒反応への応用Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Free energy Surfaces and Dynamics of Chemical Reactions in Solutions and Biological Systems

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Coarse-grained modeling of nanocube self-assembly system and transition network analyses2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Self-Assembly of Nanocubic Molecular Capsules via Solvent-Guided Formation of Rectangular Blocks2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based π -conjugated molecule2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Assessing the accuracy of integral equation theories for nano-sized hydrophobic solutes in water2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Critical Role of Deep Hydrogen Tunneling to Accelerate the Antioxidant Reaction of Ubiquinol and Vitamin E2014

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect2014

Yamamoto Takeshi 山本武志

YAMAMOTO Takeshi 山本武志

YAMAMOTO Takashi 山本武志