Ishimoto Takayoshi 石元孝佳

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ISHIMOTO Takayoshi 石元孝佳

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Researcher Number	50543435
Affiliation (Current)	2025: 広島大学, 先進理工系科学研究科(工), 教授
Affiliation (based on the past Project Information) *help	2020 – 2024: 広島大学, 先進理工系科学研究科(工), 教授 2019: 横浜市立大学, 理学部, 准教授 2018: 横浜市立大学, 国際総合科学部(八景キャンパス), 准教授 2017: 広島大学, 工学研究科, 共同研究講座准教授 2016: 広島大学, 工学(系)研究科(研究院), 共同研究講座准教授 … More 2016: 広島大学, 工学研究院, 共同研究講座准教授 2015: 九州大学, 学内共同利用施設等, 研究員 2012 – 2015: 九州大学, 稲盛フロンティア研究センター, 特任助教 2009 – 2010: Kyushu University, 稲盛フロンティア研究センター, 特任助教 Less
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Transformative Research Areas, Section (II) / Science and Engineering / Basic Section 32010:Fundamental physical chemistry-related / Thermal engineering / Physical chemistry Except Principal Investigator Fluid engineering / Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields / Medium-sized Section 26:Materials engineering and related fields / Transformative Research Areas, Section (II) / Basic Section 13020:Semiconductors, optical properties of condensed matter and atomic physics-related / Transition State Control
Keywords	Principal Investigator 量子効果 / 水素ダイナミクス / 電子状態計算 / ハイブリッド法 / 電子状態 / プロトン移動 / 重水素効果 / CPLB法 / 金属ナノ粒子 / 理論化学 … More / 重水素 / 触媒活性 / 不均一構造 / プロトン移動、 / 疎水ナノ細孔 / 水素結合 / エネルギー伝達 / カーボン / 濡れ性 / ナノ界面 / D同位体効 / H / H/D同位体効 / 分子動力学 / H/D同位体効果 / 量子化学 / 計算化学 … More Except Principal Investigator 分子動力学 / 二酸化炭素還元 / フィッシャートロプシュ合成 / 水素化 / 相境界 / 変調励起分光法 / ルテニウム触媒 / アンモニア合成 / 同位体効果 / 水素 / その場測定 / Ruナノ粒子 / 層状複水酸化物 / 光触媒 / 結晶構造 / 吸着剤 / CO2分離 / 人工光合成 / 有機合成化学 / 有機重水素化学 / 重水素化 / 重水素 / 重水素学 / 量子化学計算 / 原子衝突 / 原子間ポテンシャル / レーザー分光 / 低温分子 / バッファーガス冷却 / 前期解離 / 光会合 / イッテルビウム / 分子分光 / 他後退 / 分子動力学法 / 多孔体 / 微構造 / イオン輸送 / 連成シミュレーション / 有限要素法 / 蓄電池 / 経路積分 / 量子多成分系分子理論 / 量子シミュレーション / 量子論的反応経路 / 量子論的遷移状態 / 固体酸化物燃料電池 / 固体酸化物形燃料電池 / 計算化学 / 反応流動 / 連成現象 / 表面反応 / 細孔内輸送 / 多孔質 Less

層状結晶中の分子とキャリアの移動を設計に活用するCO2分離と人工光合成系の表面機能
- Principal Investigator
  
  犬丸啓
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Hiroshima University
Efficient green materials conversion by controllingdynamics of adsorbed molecules in phase boundary regions
- Principal Investigator
  
  山内美穂
- Project Period (FY)
  2023 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
- Research Institution
  Kyushu University
Development of CPLB method of properties and reactivities related hydrogen near the metal nanoparticle surfacesPrincipal Investigator
- Principal Investigator
  
  石元孝佳
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Hiroshima University
Spectroscopy of Yb2 to support ultracold atom studies
- Principal Investigator
  
  Enomoto Katsunari
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 13020:Semiconductors, optical properties of condensed matter and atomic physics-related
- Research Institution
  University of Toyama
Construction of basic theory for deuterium science and creation of new conceptPrincipal Investigator
- Principal Investigator
  
  Ishimoto Takayoshi
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Hiroshima University
Deuterium Science
- Principal Investigator
  
  Naka Hiroshi
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (B)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Kyoto University
Hydrogen dynamics and catalytic activity near inhomogeneous surface in metal nanoparticlesPrincipal Investigator
- Principal Investigator
  
  石元孝佳
- Project Period (FY)
  2019 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Hiroshima University
  Yokohama City University
Development of combined plane wave and localized orbital electronic structure calculation and application of proton transfer in hydrophobic nano structurePrincipal Investigator
- Principal Investigator
  
  Ishimoto Takayoshi
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Hiroshima University
  Yokohama City University
Qquantum transition state and quantum reaction path, and these application to chemical reactions
- Principal Investigator
  
  Tachikawa Masanori
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Transition State Control
- Research Institution
  Yokohama City University
Theoretical study of thermal energy transfer mechanism by electronic structure at nano interfacePrincipal Investigator
- Principal Investigator
  
  Ishimoto Takayoshi
- Project Period (FY)
  2013 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Thermal engineering
- Research Institution
  Hiroshima University
  Kyushu University
Development of Methodology for Optimizing Transport in Porous Electrode for Next Generation Storage Devices
- Principal Investigator
  
  Koyama Michihisa
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Fluid engineering
- Research Institution
  Kyushu University
Development of Large-scale Molecular Dynamics Simulation Method for Clarifying the Molecular Flow in Nano-pore Coupled with Surface Chemical Reaction
- Principal Investigator
  
  KOYAMA Michihisa
- Project Period (FY)
  2009 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Fluid engineering
- Research Institution
  Kyushu University
Development of electron/nuclear quantum molecular dynamics methodPrincipal Investigator
- Principal Investigator
  
  ISHIMOTO Takayoshi
- Project Period (FY)
  2009 – 2010
- Research Category
  
  Grant-in-Aid for Research Activity Start-up
- Research Field
  
  Physical chemistry
- Research Institution
  Kyushu University

All 2023 2022 2021 2020 2019 2018 2016 2015 2014 2013 2012 2011 2010 2009 Other

All Journal Article Presentation

[Journal Article] Multiple deuteration of triphenylphosphine and live-cell Raman imaging of deuterium-incorporated Mito-Q2023
- Author(s)
  Moriyama Shogo、Mae Miyu、Shibata Daiki、Yamakoshi Hiroyuki、Kajimoto Shinji、Nakabayashi Takakazu、Ishimoto Takayoshi、Mogi Kaiki、Sajiki Hironao、Akai Shuji、Sawama Yoshinari
- Journal Title
  
  Chemical Communications
  
  Volume: 59 Issue: 81 Pages: 12100-12103
- DOI
  10.1039/d3cc04410f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23026
[Journal Article] Computational analysis of H/D isotope effect on adsorption of water and its dissociated species on Pt(111) surface2023
- Author(s)
  Nasu Kazuma、Sakagami Hiroki、Kanematsu Yusuke、Rivera Rocabado David S.、Shimazaki Tomomi、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  AIP Advances
  
  Volume: 13 Issue: 6 Pages: 065305-065305
- DOI
  10.1063/5.0151660
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23K23026
[Journal Article] Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice Ih2023
- Author(s)
  Shimohata Yuya、Kanematsu Yusuke、Rivera Rocabado David S.、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 127 Issue: 39 Pages: 8025-8031
- DOI
  10.1021/acs.jpca.3c01318
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23026
[Journal Article] Homemade Solution of NaOD in D2O: Applications in the Field of Stilbene‐d1 Synthesis2023
- Author(s)
  Imai Keisuke、Tomita Naohito、Fujioka Hiroyoshi、Kamiya Mako、Ogasahara Riku、Ban Kazuho、Shimizu Hyoga、Ishimoto Takayoshi、Sajiki Hironao、Akai Shuji、Sawama Yoshinari
- Journal Title
  
  Asian Journal of Organic Chemistry
  
  Volume: 12 Issue: 3
- DOI
  10.1002/ajoc.202200690
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05724, KAKENHI-PLANNED-20H05738, KAKENHI-PLANNED-20H05739, KAKENHI-PROJECT-23K23026
[Journal Article] Definitive adsorption states of intermediates on Ru nanocatalysts for progress of ammonia synthesis discovered by modulation excitation spectroscopy under reaction conditions2023
- Author(s)
  Noguchi Tomohiro Goroh、Rivera Rocabado David S.、Kojo Yuki、Oyabe Atsushi、Ishimoto Takayoshi、Yamauchi Miho
- Journal Title
  
  Journal of Catalysis
  
  Volume: 426 Pages: 301-307
- DOI
  10.1016/j.jcat.2023.07.020
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23H00313
[Journal Article] Exploring the Impact of H/D Isotope Effects of Hydrogen Bond Properties in Water Dimer, Trimer, and Water Adsorption on the Ice Ih(0001) Surface2023
- Author(s)
  Shimohata Yuya、Sakagami Hiroki、Kanematsu Yusuke、Rivera Rocabado David S.、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 127 Issue: 50 Pages: 24316-24323
- DOI
  10.1021/acs.jpcc.3c04610
- Data Source
  KAKENHI-PROJECT-23K23026
[Journal Article] Electronic, vibrational, and rotational analysis of 1,2-benzanthracene by high-resolution spectroscopy referenced to an optical frequency comb2022
- Author(s)
  Katori Toshiharu、Kunishige Sachi、Baba Masaaki、Nakayama Naofumi、Ishimoto Takayoshi、Nishiyama Akiko、Yamasaki Sho、Misono Masatoshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 23 Pages: 234303-234303
- DOI
  10.1063/5.0129297
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K05105, KAKENHI-PROJECT-22K05044, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517
[Journal Article] Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron‐induced intramolecular proton transfer reactions in 8‐hydroxyquinoline2022
- Author(s)
  Udagawa Taro、Hattori Ikumi、Kanematsu Yusuke、Ishimoto Takayoshi、Tachikawa Masanori
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 122 Issue: 19
- DOI
  10.1002/qua.26962
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21K04991, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K23026
[Journal Article] Hydrogen/Deuterium Transfer from Anisole to Methoxy Radicals: A Theoretical Study of a Deuterium-Labeled Drug Model2022
- Author(s)
  Kimura Yuka、Kanematsu Yusuke、Sakagami Hiroki、Rivera Rocabado David S.、Shimazaki Tomomi、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 126 Issue: 1 Pages: 155-163
- DOI
  10.1021/acs.jpca.1c08514
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PLANNED-20H05739, KAKENHI-PLANNED-18H05517, KAKENHI-PUBLICLY-21H00026, KAKENHI-PROJECT-23K23026
[Journal Article] Uncovering the Mechanism of the Hydrogen Poisoning on Ru Nanoparticles via Density Functional Theory Calculations2022
- Author(s)
  Rivera Rocabado David S.、Aizawa Mika、Noguchi Tomohiro G.、Yamauchi Miho、Ishimoto Takayoshi
- Journal Title
  
  Catalysts
  
  Volume: 12 Issue: 3 Pages: 331-331
- DOI
  10.3390/catal12030331
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-18H05517, KAKENHI-PROJECT-23K23026
[Journal Article] H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0001) basal surfaces based on the combined plane wave and localized basis set method2021
- Author(s)
  Ishimoto Takayoshi、Sakagami Hiroki、Kanematsu Yusuke、Tachikawa Masanori
- Journal Title
  
  Applied Surface Science
  
  Volume: 561 Pages: 150100-150100
- DOI
  10.1016/j.apsusc.2021.150100
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PLANNED-20H05739
[Journal Article] Theoretical study of the H/D isotope effect of CH4/CD4 adsorption on a Rh(111) surface using a combined plane wave and localized basis sets method2021
- Author(s)
  Sakagami Hiroki、Tachikawa Masanori、Ishimoto Takayoshi
- Journal Title
  
  RSC Advances
  
  Volume: 11 Issue: 17 Pages: 10253-10257
- DOI
  10.1039/d0ra10796d
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-19H05062, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05035, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PLANNED-20H05739
[Journal Article] Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: Nuclear quantum effect on hydrogen spillover mechanism2021
- Author(s)
  Yodsin Nuttapon、Sakagami Hiroki、Udagawa Taro、Ishimoto Takayoshi、Jungsuttiwong Siriporn、Tachikawa Masanori
- Journal Title
  
  Molecular Catalysis
  
  Volume: 504 Pages: 111486-111486
- DOI
  10.1016/j.mcat.2021.111486
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062, KAKENHI-PUBLICLY-19H05155, KAKENHI-PROJECT-18K05035, KAKENHI-PUBLICLY-19H05063, KAKENHI-PROJECT-18H01945, KAKENHI-PUBLICLY-21H00026, KAKENHI-PLANNED-20H05739
[Journal Article] Hydrogen/deuterium adsorption and absorption properties on and in palladium using a combined plane wave and localized basis set method2020
- Author(s)
  Hiroki Sakagami, Masanori Tachikawa, Takayoshi Ishimoto
- Journal Title
  
  International Journal of Quantum Chemistry
  
  Volume: 120 Issue: 16
- DOI
  10.1002/qua.26275
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K05035, KAKENHI-PUBLICLY-19H05062, KAKENHI-PUBLICLY-19H05155, KAKENHI-PUBLICLY-19H05063
[Journal Article] Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems2016
- Author(s)
  M. Hashimoto, T. Ishimoto, M. Tachikawa, and T. Udagawa
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: in press
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15KT0067
[Journal Article] Theoretical Study of Hydrogen Bonds in Water Nanodroplet on Graphene2016
- Author(s)
  Takayoshi Ishimoto, Michihisa Koyama
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 15 Issue: 3 Pages: 85-86
- DOI
  10.2477/jccj.2016-0048
- NAID
  130005282025
- ISSN
  1347-1767, 1347-3824
- Language
  English
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25709012
[Journal Article] Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems2016
- Author(s)
  M. Hashimoto, T. Ishimoto, M. Tachikawa, and T. Udagawa,
- Journal Title
  
  Int. J. Quant. Chem.
  
  Volume: 116 Issue: 12 Pages: 961-967
- DOI
  10.1002/qua.25117
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PUBLICLY-16H00780, KAKENHI-PROJECT-15KT0067
[Journal Article] Theoretical Study on Wettability of Graphene/Water Interface2015
- Author(s)
  Takayoshi Ishimoto
- Journal Title
  
  AIP Conference Proceedings
  
  Volume: 1702 Pages: 090052-090052
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25709012
[Journal Article] Theoretical Study on Interaction Energy between Water and Graphene Model Compounds2014
- Author(s)
  Takayoshi Ishimoto and Michihisa Koyama
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: 13 Pages: 171-172
- NAID
  130004694020
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-25709012
[Journal Article] Molecular dynamics simulation based on the multi-component molecular orbital method : Application to H5O2+, D5O2+, and T5O2+2012
- Author(s)
  T.Ishimoto, et al
- Journal Title
  
  Chemical Physics
  
  Volume: 392 Pages: 166-169
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Journal Article] Molecular dynamics simulation based on the multi-component molecular orbital method : Application to H5O2+, D5O2+, and T5O2+2012
- Author(s)
  Takayoshi Ishimoto, Michihisa Koyama
- Journal Title
  
  Chemical Physics
  
  Volume: 392 Pages: 166-166
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Journal Article] Theoretical Study for the Sintering of Nickel Anode in Solid Oxide Fuel Cell2011
- Author(s)
  K. Nakao, T. Ogura, T. Ishimoto, M. Koyama
- Journal Title
  
  ECS Transactions
  
  Volume: Vol. 35, No.1 Issue: 1 Pages: 1661-1667
- DOI
  10.1149/1.3570153
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21686018
[Journal Article] Optimized Molecular Exponents on Gaussian Basis Sets for Hybrid Orbitals of Hydrocarbon Molecules2010
- Author(s)
  Takayoshi Ishimoto, Masanori Tachikawa
- Journal Title
  
  Journal of Computer Chemistry, Japan
  
  Volume: 9 Pages: 15-15
- NAID
  10028164734
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Journal Article] Systematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions2010
- Author(s)
  T.Ishimoto, et al.
- Journal Title
  
  Journal of Computer Chemistry, Japan 9
  
  Pages: 1-8
- NAID
  10028164682
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Journal Article] ystematic Improvement of Energy-Components by Simultaneous Optimization of Exponents and Centers of Gaussian-Type Function Basis Sets for Molecular Self-Consistent-Field Wave Functions, Journal of Computer Chemistry2010
- Author(s)
  Takayoshi Ishimoto, Masanori Tachikawa
- Journal Title
  
  Japan
  
  Volume: 9 Pages: 1-1
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Journal Article] Optimized Molecular Exponents on Gaussian Basis Sets for Hybrid Orbitals of Hydrocarbon Molecules2010
- Author(s)
  T.Ishimoto, et al.
- Journal Title
  
  Journal of Computer Chemistry, Japan 9
  
  Pages: 15-20
- NAID
  10028164734
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] 量子多成分系分子理論のH/D同位体化合物の赤外分光計算への適用性評価2023
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第23回分子分光研究会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Theoretical study of metal surface-hydrogen interaction by combined plane wave and localized basis sets (CPLB) method2023
- Author(s)
  Takayoshi Ishimoto
- Organizer
  The 11th Annual World Congress of Nano-S&T
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Pd(111)表面における水とその解離種の吸着に関するH/D同位体効果の理論的解析2023
- Author(s)
  山岡廉、David S. Rivera Rocabado、石元孝佳、兼松佑典
- Organizer
  第23回大つくば物理化学セミナー
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Combined plane wave and localized basis sets (CPLB) approach: A study of H/D adsorption on metal surface2023
- Author(s)
  Takayoshi Ishimoto
- Organizer
  Cluster Meeting of Gala Technology 2023
- Invited
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重医薬品の設計に向けた理論計算 -機能発現における起源は何か？-2023
- Author(s)
  石元　孝佳
- Organizer
  日本薬学会第143年会（札幌）
- Data Source
  KAKENHI-ORGANIZER-20H05737
[Presentation] 赤外分光計算への量子多成分系分子理論の適用性の検証2023
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重医薬品の設計に向けた理論計算-機能発現における起源は何か-2023
- Author(s)
  石元孝佳
- Organizer
  日本薬学会第143年会
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] Theoretical study of isotope effects in ice by CPLB method2023
- Author(s)
  Yuya Shimohata, Yusuke Kanematsu, David Samuel Rivera Rocabado, Takayoshi Ishimoto
- Organizer
  ACS Fall 2023
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重医薬品の設計に向けた理論計算-機能発現における起源は何か？-2023
- Author(s)
  石元孝佳
- Organizer
  日本薬学会　第143年会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] Theoretical analysis on the mechanism of H/D kinetic isotope effect in the metabolism on deuterated drug2023
- Author(s)
  Taichi Mitani, Yusuke Kanematsu, Takayoshi Ishimoto
- Organizer
  ACS Fall 2023
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重水素科学のための基礎理論の構築と新概念の創出2023
- Author(s)
  石元　孝佳
- Organizer
  学術変革領域研究(B)「重水素学」最終報告会
- Data Source
  KAKENHI-ORGANIZER-20H05737
[Presentation] 電子状態計算による金属ナノ粒子の物性・反応性解析2023
- Author(s)
  石元孝佳
- Organizer
  日本物理学会　第78回年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 金属表面への分子吸着における吸着構造とH/D動態効果の解析に向けたCPLB法の開発2022
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  2022年日本化学会中国四国支部大会広島大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 多重水素化トリフェニルホスフィンの合成ならびに機能評価2022
- Author(s)
  森山将吾、石元孝佳、茂木凱貴、佐治木弘尚、赤井周司、澤間善成
- Organizer
  日本薬学会第142年会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 金属表面への分子吸着における吸着構造とH/D動態効果の解析に向けたCPLB法の開発2022
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重水素医薬品の代謝におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  2022年日本化学中国四国支部大会　広島大会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 量子多成分系分子理論における赤外分光計算の条件検討2022
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第22回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 気相・吸着分子のH/D同位体効果に関する精密量子化学計算2022
- Author(s)
  石元孝佳
- Organizer
  冷却分子・精密分光シンポジウム
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2022
- Author(s)
  下畑佑也、兼松佑典、David S. Rivera Rocabado、石元孝佳
- Organizer
  第16回分子科学討論会2022
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 気相・吸着分子のH/D同位体効果に関する精密量子化学計算2022
- Author(s)
  石元孝佳
- Organizer
  冷却分子・精密分光シンポジウム
- Data Source
  KAKENHI-PROJECT-20K03805
[Presentation] CPLB法を用いた氷の重水素効果に対する理論的解析2022
- Author(s)
  下畑佑也、兼松佑典、David Samuel Rivera Rocabado、石元孝佳
- Organizer
  2022年日本化学中国四国支部大会　広島大会
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 重水素医薬品の代謝におけるH/D速度論的同位体効果の発現機構に関する理論的解析2022
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  2022年日本化学会中国四国支部大会広島大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 白金表面における水の吸着・反応に関する重水素効果の理論解析2022
- Author(s)
  那須一真、坂上弘輝、石元孝佳、島崎智実、立川仁典
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 量子多成分系分子理論における赤外分光計算の条件検討2022
- Author(s)
  片岡和樹、兼松佑典、石元孝佳
- Organizer
  第22回大つくば物理化学セミナー
- Data Source
  KAKENHI-PROJECT-23K23026
[Presentation] 金属表面への分子吸着に対するH/D同位体効果の解析に向けたCPLB法の開発2022
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 気相・吸着分子のH/D同位体効果に関する精密量子化学計算2022
- Author(s)
  石元孝佳
- Organizer
  冷却分子・精密分光シンポジウム
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] H/D isotope effect of CH4/CD4 adsorption on Rh(111) surface using combined plane wave and localized basis sets method2021
- Author(s)
  Takayoshi Ishimoto, Hiroki Sakagami, Masanori Tachikawa
- Organizer
  The 5th Asian Workshop on Molecular Spectroscopy
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] 白金(111)上でのH2O,HOD,D2O吸着に関する理論解析2021
- Author(s)
  那須一真、坂上弘輝、立川仁典、島崎智実、石元孝佳
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] Electronic structure calculation of metal nanoparticles -Toward theoretical design of functionality and activity-2021
- Author(s)
  Takayoshi Ishimoto
- Organizer
  IAAM Advanced Materials Lecture
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] 金属表面への分子吸着におけるH/D同位体効果の理論解析に向けたCPLB法の開発2021
- Author(s)
  坂上弘輝、立川仁典、石元孝佳
- Organizer
  第14回物性科学領域横断研究会
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] 平面波局在ハイブリッド計算手法の開発と応用2021
- Author(s)
  石元孝佳
- Organizer
  第128回触媒討論会
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 励起状態分子内プロトン移動反応に対するH/D同位体効果の理論的解析2021
- Author(s)
  服部郁美、兼松佑典、石元孝佳、立川仁典、宇田川太郎
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法の開発とRh(111)表面へのメタン吸着に対するH/D同位体効果の解析2021
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第60回分子科学若手の会夏の学校
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 三態の水に現れる水素原子核の量子効果2021
- Author(s)
  兼松佑典、下畑佑也、石元孝佳
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属表面への分子吸着に対するH/D同位体効果の理論解析に向けたCPLB法の開発と応用2021
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  日本コンピュータ化学会2021年秋季年会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素医薬品におけるH/D速度論的同位体効果の発現機構に関する理論的解析2021
- Author(s)
  見谷泰知、兼松佑典、石元孝佳
- Organizer
  第21回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] H/D isotope effect of CH4/CD4 adsorption on Rh(111) surface using combined plane wave and localized basis sets method2021
- Author(s)
  Takayoshi Ishimoto, Hiroki Sakagami, Masanori Tachikawa
- Organizer
  The 5th Asian Workshop on Molecular Spectroscopy
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 重水素化学のための新理論の構築と新概念の創出2021
- Author(s)
  石元孝佳
- Organizer
  第11回CSJ化学フェスタ
- Invited
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属表面への分子吸着におけるH/D同位体効果の解析に向けたCPLB法の開発と応用2021
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第15回分子科学討論会2021
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] H/D isotope effect of CH4/CD4 adsorption on Rh(111) surface using combined plane wave and localized basis sets method2021
- Author(s)
  T. Ishimoto, H. Sakagami, M. Tachikawa
- Organizer
  The 5th Asian Workshop on Molecular Spectroscopy
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K03805
[Presentation] CPLB法の開発とRh(111)表面へのメタン吸着に対するH/D同位体効果の解析2021
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] CPLB法による氷の構造と物性に対する重水素効果の理論解析2021
- Author(s)
  下畑佑也、兼松佑典、石元孝佳
- Organizer
  第21回大つくば物理化学セミナー
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 経路積分分子動力学法を用いた四角酸結晶における水素結合構造の理論的解析2021
- Author(s)
  小林輝、高木牧人、桑畑和明、石元孝佳、立川仁典
- Organizer
  第1回若手重水素研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属表面への分子吸着に対するH/D同位体効果の理論解析に向けたCPLB法の開発2020
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] 金属表面への分子吸着におけるH/D同位体効果の理論解析に向けたCPLB法の開発2020
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第14回物性科学領域横断研究会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Electronic structure calculation of metal nanoparticles -Toward theoretical design of functionality and activity-2020
- Author(s)
  T. Ishimoto
- Organizer
  IAAM Advanced Materials Lecture
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Electronic structure calculation of metal nanoparticles -Toward theoretical design of functionality and activity-2020
- Author(s)
  Takayoshi Ishimoto
- Organizer
  IAAM Advanced Materials Lecture
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属表面の分子吸着に対するH/D同位体効果の理論解析に向けたCPLB法の開発2020
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  日本物理学会第75回年次大会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Theoretical study of H/D isotope effect with metal by using combined plane wave and localized basis set approach2020
- Author(s)
  T. Ishimoto
- Organizer
  1st International Symposium "Hydrogenomics"
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Theoretical study of H/D isotope effect with metal by using combined plane wave and localized basis set approach2020
- Author(s)
  T. Ishimoto
- Organizer
  1st International Symposium "Hydrogenomics"
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] 金属表面へのCH4/CD4吸着におけるH/D同位体効果の解析に向けたCPLB法の開発2020
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第14回物性科学領域横断研究会
- Data Source
  KAKENHI-PLANNED-20H05739
[Presentation] 金属表面への分子吸着に対する H/D 同位体効果の理論解析に向けた CPLB 法の開発2020
- Author(s)
  坂上弘輝, 石元孝佳, 立川仁典
- Organizer
  日本物理学会第75回年次大会（2020年）
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] 材料特性の理解と設計に向けた分子シミュレーションの活用2020
- Author(s)
  石元孝佳
- Organizer
  MBR講演会
- Invited
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] アンモニア合成における単原子合金の高活性化機能に関する理論解析2020
- Author(s)
  リベラ　デイビット、山内　美穂、石元　孝佳
- Organizer
  第14回物性科学領域横断研究会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] CPLB法の開発とRh表面へのメタン吸着に関するH/D同位体効果の解析2019
- Author(s)
  坂上弘輝, 石元孝佳, 立川仁典
- Organizer
  日本コンピュータ化学会2019秋季年会
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Theoretical study of electronic structure and catalytic activity in metal nanoparticles2019
- Author(s)
  T. Ishimoto
- Organizer
  CatScience
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Development of combined plane wave and localized basis sets method: Application of H/D adsorption on Pd(111) surface2019
- Author(s)
  H. Sakagami, T. Ishimoto, and M. Tachikawa
- Organizer
  IAMS-YCU Autumn Workshop 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Development of combined plane wave and localized basis sets method toward the analysis of H/D adsorption mechanism on the metal surface2019
- Author(s)
  H. Sakagami, T. Ishimoto, and M. Tachikawa
- Organizer
  Isotopes 2019 - The Cross-Disciplinary Conference on Stable Isotope Sciences
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Development of combined plane wave and localized basis set method: Application of H/D adsorption on Pd(111) surface2019
- Author(s)
  H. Sakagami, T. Ishimoto, M. Tachikawa
- Organizer
  IAMS-YCU Autumn Symposium 2019
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Theoretical study of hydrogen/deuterium absorption properties in Pd by using combined plane wave and localized basis set approach2019
- Author(s)
  T. Ishimoto, H. Sakagami, and M. Tachikawa
- Organizer
  MRM2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Development of combined plane wave and localized basis set method toward the analysis of H/D adsorption mechanism on the metal surfaces2019
- Author(s)
  H. Sakagami, T. Ishimoto, M. Tachikawa
- Organizer
  Isotopes 2019
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Development of combined plane wave and localized basis sets method to treat the H/D isotope effect of adsorption of atoms/molecules on metal surfaces.2019
- Author(s)
  H. Sakagami, T. Ishimoto, M. Tachikawa
- Organizer
  The 23rd International Annual Symposium on Computational Science and Engineering
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Theoretical study of electronic structure and catalytic activity in metal nanoparticles2019
- Author(s)
  T. Ishimoto
- Organizer
  CatScience 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] CPLB法の開発とRh表面へのメタン吸着に関するH/D同位体効果の解析2019
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  日本コンピュータ化学会2019秋季年会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] 金属表面への吸着機構に関するH/D同位体効果の理論解析2019
- Author(s)
  坂上弘輝、石元孝佳、立川仁典
- Organizer
  第13回物性科学領域横断研究会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Development of combined plane wave and localized basis sets method to treat the H/D isotope effect of adsorption of atoms/molecules on metal surfaces2019
- Author(s)
  H. Sakagami, T. Ishimoto, and M. Tachikawa
- Organizer
  The 23rd International Annual Symposium on Computational Science and Engineering
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Theoretical study of hydrogen/deuterium absorption properties in Pd by using combined plane wave and localized basis set approach2019
- Author(s)
  T. Ishimoto, H. Sakagami, M. Tachikawa
- Organizer
  MRM2019
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] Development of combined plane wave and localized basis sets method toward analysis of H/D isotope effect of CH4/CD4 adsorption on metal surfaces2019
- Author(s)
  坂上弘輝、石元孝佳、小林理、立川仁典
- Organizer
  第13回　分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-19H05062
[Presentation] 金属表面への吸着機構に関する H/D 同位体効果の理論解析2019
- Author(s)
  坂上弘輝, 石元孝佳, 立川仁典
- Organizer
  第13回物性科学領域横断研究会
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Development of combined plane wave and localized basis sets method toward the analysis of H/D isotope effect of CH4/CD4 adsorption on metal surface2019
- Author(s)
  H. Sakagami, T. Ishimoto, O. Kobayashi, and M. Tachikawa
- Organizer
  第13回分子科学討論会
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] 金属ナノ粒子の機能発現機構解明に向けた大規模電子状態計算2018
- Author(s)
  石元孝佳
- Organizer
  2018年日本表面真空学会学術講演会
- Invited
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] モデルベース研究による高分子材料特性解析2018
- Author(s)
  石元孝佳・塚田学・大下浄治・甲斐裕之
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] Theoretical study of hydrogen absorption properties in metal nanoparticles2018
- Author(s)
  石元孝佳
- Organizer
  The 4th Korea-Japan Symposium on Hydrogen in Materials
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K05035
[Presentation] グラフェン/水界面の不均一水素結合構造に関する理論解析2016
- Author(s)
  石元孝佳、古山通久
- Organizer
  第10回分子科学討論会
- Place of Presentation
  神戸
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Theoretical study of inhomogeneous hydrogen bonds at water/graphene interface2016
- Author(s)
  Takayoshi Ishimoto
- Organizer
  International Symposium on Pure & Applied Chemistry 2016
- Place of Presentation
  Kuching, Malaysia
- Year and Date
  2016-08-15
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] 界面不均一水素結合に関する理論解析2016
- Author(s)
  石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会2016春季年会
- Place of Presentation
  東京
- Year and Date
  2016-06-02
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Application of Electronic Structure Analysis at Nanomaterial Interface2015
- Author(s)
  Takayoshi Ishimoto
- Organizer
  EMN Meeting Computation and Theory -Energy Materials and Nano Technology-
- Place of Presentation
  Istanbul, Turkey
- Year and Date
  2015-11-09
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Theoretical study on interface interaction between graphene and water2014
- Author(s)
  Takayoshi Ishimoto, Michihisa Koyama
- Organizer
  10th Triennial Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Casa Piedra, Santiago, Chile
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] グラフェン/水界面相互作用に関する理論解析2014
- Author(s)
  石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会2014年春季年会
- Place of Presentation
  東京工業大学大岡山キャンパス
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Interfacial Phenomena Analysis of Lithium-Ion Secondary Battery2014
- Author(s)
  H. Uchino, T. Ishimoto and M. Koyama
- Organizer
  International Conference on Hydrogen Production-2014
- Place of Presentation
  Fukuoka
- Data Source
  KAKENHI-PROJECT-25709007
[Presentation] リチウムイオン二次電池の負極電解質界面解析，2014
- Author(s)
  内野宏章、石元孝佳、古山通久
- Organizer
  電気化学会第81回大会
- Place of Presentation
  大阪
- Data Source
  KAKENHI-PROJECT-25709007
[Presentation] アルカリ形燃料電池電解質中でのOH-ダイナミクスと溶媒効果2013
- Author(s)
  石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会2013年春季年会
- Place of Presentation
  東京工業大学大岡山キャンパス
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] リチウムイオン二次電池の界面現象解析2013
- Author(s)
  内野宏章、石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会2013秋季年会，福岡，2013.10.18-19
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-25709007
[Presentation] リチウムイオン二次電池の界面現象解析2013
- Author(s)
  内野宏章、石元孝佳、古山通久
- Organizer
  第112回触媒討論会
- Place of Presentation
  秋田
- Data Source
  KAKENHI-PROJECT-25709007
[Presentation] Molecular dynamics simulation with nuclear quantum effect2012
- Author(s)
  Takayoshi Ishimoto
- Organizer
  The 4^<th> French-Japanese Workshop on Computational Methods in Chemistry
- Place of Presentation
  福岡
- Year and Date
  2012-03-05
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] 分子動力学シミュレーションによるシンクリング実時間特性予測2012
- Author(s)
  中尾和英、石元孝佳、古山通久
- Organizer
  電気化学会第79回大会
- Place of Presentation
  浜松
- Year and Date
  2012-03-29
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] Molecular dynamics simulation with nuclear quantum effect2012
- Author(s)
  Takayoshi Ishimoto
- Organizer
  The 4^<th> French-Japanese Workshop on Computational Methods in Chemistry
- Place of Presentation
  Fukuoka
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] 固体酸化物燃料電池燃料極高耐久化に関する理論研究2011
- Author(s)
  中尾和英、鍵山圭佑、劉世学、小倉鉄平、石元孝佳、古山通久
- Organizer
  化学工学会第43回秋季大会
- Place of Presentation
  名古屋
- Year and Date
  2011-09-15
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] H/D isotope effect in hydrogen bonds by direct treatment of nuclear quantum effect2011
- Author(s)
  Takayoshi Ishimoto
- Organizer
  Asian, International Symposium
- Place of Presentation
  Tokyo
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] 水素の量子性を考慮した分子動力学計算2011
- Author(s)
  石元孝佳、劉世学、古山通久
- Organizer
  第108回触媒討論会
- Place of Presentation
  北海道
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] Molecular Dynamics Study for the Sintering of Ni Anode in Solid Oxide Fuel Cell2011
- Author(s)
  K.Nakao, T.Ogura, T.Ishimoto, M.Koyama
- Organizer
  62nd Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  新潟
- Year and Date
  2011-09-13
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] Theoretical Study for the Sintering of Nickel Anode in Solid Oxide Fuel Cell2011
- Author(s)
  K.Nakao, T.Ogura, T.Ishimoto, M.Koyama
- Organizer
  219th ECS Meeting
- Place of Presentation
  Montreal
- Year and Date
  2011-05-03
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] 固体酸化物燃料電池燃料極劣化現象の計算化学解析2011
- Author(s)
  古山通久、中尾和英、小倉鉄平、石元孝佳
- Organizer
  日本コンピュータ化学会2011年春季年会プログラム
- Place of Presentation
  東京
- Year and Date
  2011-06-17
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] ニッケルシンクリングの実時間特性予測に向けた分子動力学的研究2011
- Author(s)
  中尾和英、石元孝佳、一古山通久
- Organizer
  第20回SOFC研究発表会
- Place of Presentation
  東京
- Year and Date
  2011-12-13
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] GPUによる分子動力学法の高速化と応用2010
- Author(s)
  本山, 小倉, 石元, 古山
- Organizer
  日本コンピュータ化学会2010春季年会
- Place of Presentation
  東京
- Year and Date
  2010-05-21
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] GPU による分子動力学法の高速化と応用2010
- Author(s)
  本山雅孝、小倉鉄平、石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会 2010 春季年会
- Place of Presentation
  東京
- Year and Date
  2010-05-21
- Data Source
  KAKENHI-PROJECT-21686018
[Presentation] 水素科学のための量子化学計算2009
- Author(s)
  石元孝佳
- Organizer
  産業技術数理研究センター
- Place of Presentation
  九州大学
- Year and Date
  2009-09-03
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] 水素科学のための量子化学計算2009
- Author(s)
  石元孝佳
- Organizer
  産業技術数理研究センター
- Place of Presentation
  福岡
- Data Source
  KAKENHI-PROJECT-21850022
[Presentation] グラフェン/水界面の電子状態と濡れ性に関する理論解析
- Author(s)
  石元孝佳、古山通久
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] グラフェン/水界面相互作用に関する理論解析
- Author(s)
  石元孝佳、古山通久
- Organizer
  日本コンピュータ化学会2014春季年会
- Place of Presentation
  東京
- Year and Date
  2014-05-29 – 2014-05-30
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Theoretical Study on interaction Energy at Graphene/Water Interface
- Author(s)
  Takayoshi Ishimoto and Michihisa Koyama
- Organizer
  10th Congress of the World Association of Theoretical and Computational Chemists
- Place of Presentation
  Santiago, Chile
- Year and Date
  2014-10-05 – 2014-10-10
- Data Source
  KAKENHI-PROJECT-25709012
[Presentation] Theoretical Study on Wettability of Graphene/Water Interface
- Author(s)
  Takayoshi Ishimoto
- Organizer
  International Conference of Computational Methods in Science and Engineering (ICCMSE2015)
- Place of Presentation
  Athens, Greece
- Year and Date
  2015-03-20 – 2015-03-23
- Invited
- Data Source
  KAKENHI-PROJECT-25709012

1. KOYAMA Michihisa (60372306)

# of Collaborated Projects: 2 results

# of Collaborated Products: 13 results
2. 宇田川太郎 (70509356)

# of Collaborated Projects: 2 results

# of Collaborated Products: 3 results
3. 兼松佑典 (10765936)

# of Collaborated Projects: 2 results

# of Collaborated Products: 22 results
4. OGURA Teppei (90552000)

# of Collaborated Projects: 1 results

# of Collaborated Products: 7 results
5. Tachikawa Masanori (00267410)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
6. Enomoto Katsunari (50452090)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. Naka Hiroshi (70431517)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 馬場正昭 (80189729)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 前川京子 (70270626)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 澤間善成 (80552413)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 犬丸啓 (80270891)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 片桐清文 (30432248)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 樽谷直紀 (60806199)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. 田中将嗣 (90597650)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. 山内美穂 (10372749)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
16. RiveraRocabado DavidSamuel (00865298)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
17. 中山尚史

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
18. 神谷真子

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Ishimoto Takayoshi 石元 孝佳

ISHIMOTO Takayoshi 石元 孝佳

Research Projects

Research Products

Co-Researchers

層状結晶中の分子とキャリアの移動を設計に活用するCO2分離と人工光合成系の表面機能

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Efficient green materials conversion by controllingdynamics of adsorbed molecules in phase boundary regions

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Development of CPLB method of properties and reactivities related hydrogen near the metal nanoparticle surfacesPrincipal Investigator

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Spectroscopy of Yb2 to support ultracold atom studies

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Construction of basic theory for deuterium science and creation of new conceptPrincipal Investigator

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Deuterium Science

Principal Investigator

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Hydrogen dynamics and catalytic activity near inhomogeneous surface in metal nanoparticlesPrincipal Investigator

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Development of combined plane wave and localized orbital electronic structure calculation and application of proton transfer in hydrophobic nano structurePrincipal Investigator

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Qquantum transition state and quantum reaction path, and these application to chemical reactions

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Theoretical study of thermal energy transfer mechanism by electronic structure at nano interfacePrincipal Investigator

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Development of Methodology for Optimizing Transport in Porous Electrode for Next Generation Storage Devices

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Development of Large-scale Molecular Dynamics Simulation Method for Clarifying the Molecular Flow in Nano-pore Coupled with Surface Chemical Reaction

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Development of electron/nuclear quantum molecular dynamics methodPrincipal Investigator

Principal Investigator

Project Period (FY)

Ishimoto Takayoshi 石元孝佳

ISHIMOTO Takayoshi 石元孝佳