Basic Information

Faculty

• 理学部

Concurrent Affiliation

• Graduate School of Science, 化学専攻 理論化学研究室, 教授

Academic Degree

• 修士（理学）(京都大学)
• 博士（理学）(京都大学)

ID,URL

• J-Global ID

  201401057406804941

researchmap URL

• https://researchmap.jp/7000008405

Research

Papers

• Converting a Light-Driven Proton Pump into a Light-Gated Proton Channel

  Keiichi Inoue; Takashi Tsukamoto; Kazumi Shimono; Yuto Suzuki; Seiji Miyauchi; Shigehiko Hayashi; Hideki Kandori; Yuki Sudo

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Mar. 2015, Peer-reviewed

  
• 新しい酵素を理論的にデザインすることはできるのか－存在の耐えられない複雑さ－

  林 重彦

  現代化学, 2015, Invited

  
• Key Chemical Factors of Arginine Finger Catalysis of F-1-ATPase Clarified by an Unnatural Amino Acid Mutation

  Ayako Yukawa; Ryota Iino; Rikiya Watanabe; Shigehiko Hayashi; Hiroyuki Noji

  BIOCHEMISTRY, Jan. 2015, Peer-reviewed

  
• Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment

  Masahiro Higashi; Takahiro Kosugi; Shigehiko Hayashi; Shinji Saito

  JOURNAL OF PHYSICAL CHEMISTRY B, Sep. 2014, Peer-reviewed

  
• Silencing Neurons with Light

  Shigehiko Hayashi

  SCIENCE, Apr. 2014, Invited

  
• Facile Catch and Release of Fullerenes Using a Photoresponsive Molecular Tube

  Norifumi Kishi; Munetaka Akita; Motoshi Kamiya; Shigehiko Hayashi; Hsiu-Fu Hsu; Michito Yoshizawa

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Sep. 2013, Peer-reviewed

  
• A Blue-shifted Light-driven Proton Pump for Neural Silencing

  Yuki Sudo; Ayako Okazaki; Hikaru Ono; Jin Yagasaki; Seiya Sugo; Motoshi Kamiya; Louisa Reissig; Keiichi Inoue; Kunio Ihara; Hideki Kandori; Shin Takagi; Shigehiko Hayashi

  JOURNAL OF BIOLOGICAL CHEMISTRY, Jul. 2013, Peer-reviewed

  
• Adenosine Triphosphate Hydrolysis Mechanism in Kinesin Studied by Combined Quantum-Mechanical/Molecular-Mechanical Metadynamics Simulations

  Matthew J. McGrath; I. -F. Will Kuo; Shigehiko Hayashi; Shoji Takada

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Jun. 2013, Peer-reviewed

  
• The Reaction Mechanism of Claisen Rearrangement Obtained by Transition State Spectroscopy and Single Direct-Dynamics Trajectory

  Izumi Iwakura; Yu Kaneko; Shigehiko Hayashi; Atsushi Yabushita; Takayoshi Kobayashi

  MOLECULES, Feb. 2013, Peer-reviewed

  
• Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations

  Motoshi Kamiya; Hideaki E. Kato; Ryuichiro Ishitani; Osamu Nureki; Shigehiko Hayashi

  CHEMICAL PHYSICS LETTERS, Jan. 2013, Peer-reviewed

  
• Molecular Mechanism of ATP Hydrolysis in F-1-ATPase Revealed by Molecular Simulations and Single-Molecule Observations

  Shigehiko Hayashi; Hiroshi Ueno; Abdul Rajjak Shaikh; Myco Umemura; Motoshi Kamiya; Yuko Ito; Mitsunori Ikeguchi; Yoshihito Komoriya; Ryota Iino; Hiroyuki Noji

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, May 2012, Peer-reviewed

  
• Crucial Role of Protein Flexibility in Formation of a Stable Reaction Transition State in an alpha-Amylase Catalysis

  Takahiro Kosugi; Shigehiko Hayashi

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Apr. 2012, Peer-reviewed

  
• Crystal structure of the channelrhodopsin light-gated cation channel

  Hideaki E. Kato; Feng Zhang; Ofer Yizhar; Charu Ramakrishnan; Tomohiro Nishizawa; Kunio Hirata; Jumpei Ito; Yusuke Aita; Tomoya Tsukazaki; Shigehiko Hayashi; Peter Hegemann; Andres D. Maturana; Ryuichiro Ishitani; Karl Deisseroth; Osamu Nureki

  NATURE, Feb. 2012, Peer-reviewed

  
• QM/MM Reweighting Free Energy SCF for Geometry Optimization on Extensive Free Energy Surface of Enzymatic Reaction

  Takahiro Kosugi; Shigehiko Hayashi

  JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Jan. 2012, Peer-reviewed

  
• A theoretical study on excited state double proton transfer reaction of a 7-azaindole dimer: an ab initio potential energy surface and its empirical valence bond model

  Kohei Ando; Shigehiko Hayashi; Shigeki Kato

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, Peer-reviewed

  
• Local entropy difference upon a substrate binding of a psychrophilic alpha-amylase and a mesophilic homologue

  Takahiro Kosugi; Shigehiko Hayashi

  CHEMICAL PHYSICS LETTERS, Jan. 2011, Peer-reviewed

  
• Protein Collective Motions Coupled to Ligand Migration in Myoglobin

  Yasutaka Nishihara; Shigeki Kato; Shigehiko Hayashi

  BIOPHYSICAL JOURNAL, Apr. 2010, Peer-reviewed

  
• Electronic Coulombic Coupling of Excitation-Energy Transfer in Xanthorhodopsin

  Kazuhiro J. Fujimoto; Shigehiko Hayashi

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Oct. 2009, Peer-reviewed

  
• Proton-Transfer Reactions in Reaction Center of Photosynthetic Bacteria Rhodobacter sphaeroides

  Yu Kaneko; Shigehiko Hayashi; Iwao Ohmine

  JOURNAL OF PHYSICAL CHEMISTRY B, Jul. 2009, Peer-reviewed

  
• Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation

  Shigehiko Hayashi; Emad Taikhorshid; Klaus Schulten

  BIOPHYSICAL JOURNAL, Jan. 2009, Peer-reviewed

  
• Mechanism of efficient firefly bioluminescence via adiabatic transition state and seam of sloped conical intersection

  Lung Wa Chung; Shigehiko Hayashi; Marcus Lundberg; Toru Nakatsu; Hiroaki Kato; Keiji Morokuma

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Oct. 2008, Peer-reviewed

  
• A search for ligand diffusion pathway in myoglobin using a metadynamics simulation

  Yasutaka Nishihara; Shigehiko Hayashi; Shigeki Kato

  CHEMICAL PHYSICS LETTERS, Oct. 2008, Peer-reviewed

  
• Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution

  Masahiro Higashi; Shigehiko Hayashi; Shigeki Kato

  JOURNAL OF CHEMICAL PHYSICS, Apr. 2007, Peer-reviewed

  
• Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase

  Masahiro Higashi; Shigehiko Hayashi; Shigeki Kato

  CHEMICAL PHYSICS LETTERS, Apr. 2007, Peer-reviewed

  
• Theoretical studies on the color-tuning mechanism in retinal proteins

  Kazuhiro Fujimoto; Shigehiko Hayashi; Jun-ya Hasegawa; Hiroshi Nakatsuji

  JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Mar. 2007, Peer-reviewed

  Access this paper :

  
• Analysis of structure and function of F1-ATPase molecular motor protein studied by molecular simulations

  S. Hayashi

  Tanpakushitsu kakusan koso. Protein, nucleic acid, enzyme, 2007, Peer-reviewed

  
• 分子シミュレーションによる F1-ATPase の構造機能解析

  林 重彦

  蛋白質核酸酵素, 2007, Invited

  
• On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study

  Kazuhiro Fujimoto; Jun-ya Hasegawa; Shigehiko Hayashi; Hiroshi Nakatsuji

  CHEMICAL PHYSICS LETTERS, Dec. 2006, Peer-reviewed

  Access this paper :

  
• Chemical Reactions in Biological Systems Studied by Hybrid QM/MM Simulations

  HAYASHI Shigehiko

  Seibutsu Butsuri, 2006, Peer-reviewed, Invited

  
• Critical role of a thiolate-quinone charge transfer complex and its adduct form in de novo disulfide bond generation by DsbB

  K Inaba; Y Takahashi; K Ito; S Hayashi

  PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, Jan. 2006, Peer-reviewed

  
• Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study

  K Fujimoto; JY Hasegawa; S Hayashi; S Kato; H Nakatsuji

  CHEMICAL PHYSICS LETTERS, Oct. 2005, Peer-reviewed

  
• ATP hydrolysis in the beta(TP) and beta(DP) catalytic sites of F-1-ATPase

  M Dittrich; S Hayashi; K Schulten

  BIOPHYSICAL JOURNAL, Nov. 2004, Peer-reviewed

  
• Role of hydrogen-bond network in energy storage of bacteriorhodopsin's light-driven proton pump revealed by ab initio normal-mode analysis

  S Hayashi; E Tajkhorshid; H Kandori; K Schulten

  JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Sep. 2004, Peer-reviewed

  
• Thermophilic ATP synthase has a decamer c-ring: Indication of noninteger 10 : 3 H+/ATP ratio and permissive elastic coupling

  N Mitome; T Suzuki; S Hayashi; M Yoshida

  PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, Aug. 2004, Peer-reviewed

  
• バクテリオロドプシンのプロトンポンプ機構に関する理論的研究

  林 重彦

  Chemical Information and Computer Sciences The Chemical Society of Japan Bulletin, 2004, Invited

  
• On the mechanism of ATP hydrolysis in F(1)-ATPase

  M Dittrich; S Hayashi; K Schulten

  BIOPHYSICAL JOURNAL, Oct. 2003, Peer-reviewed

  
• Molecular dynamics simulation of bacteriorhodopsin\\'s photoisomerization using ab initio forces for the excited chromophore

  S. Hayashi; E. Tajkhorshid; K. Schulten

  Biophysical Journal, 2003, Peer-reviewed

  
• Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin

  J Saam; E Tajkhorshid; S Hayashi; K Schulten

  BIOPHYSICAL JOURNAL, Dec. 2002, Peer-reviewed

  
• Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle

  S Hayashi; E Tajkhorshid; K Schulten

  BIOPHYSICAL JOURNAL, Sep. 2002, Peer-reviewed

  
• Structure and Spectral Tuning Mechanism of Photo-Sensory Protein sRII (pR)

  HAYASHI Shigehiko; TAJKHORSHID Emad; SCHULTEN Klaus

  Seibutsu Butsuri, 2002, Peer-reviewed, Invited

  
• Structural determinants of spectral tuning in retinal proteins-bacteriorhodopsin vs sensory rhodopsin II

  S Hayashi; E Tajkhorshid; E Pebay-Peyroula; A Royant; EM Landau; J Navarro; K Schulten

  JOURNAL OF PHYSICAL CHEMISTRY B, Oct. 2001, Peer-reviewed

  
• Proton transfer in bacteriorhodopsin: Structure, excitation, IR spectra, and potential energy surface analyses by an ab initio QM/MM method

  S Hayashi; Ohmine, I

  JOURNAL OF PHYSICAL CHEMISTRY B, Nov. 2000, Peer-reviewed

  
• Solvent effect on intramolecular long-range electron-transfer reactions between porphyrin and benzoquinone in an acetonitrile solution: Molecular dynamics calculations of reaction rate constants

  S Hayashi; S Kato

  JOURNAL OF PHYSICAL CHEMISTRY A, May 1998, Peer-reviewed

  
• Theoretical study of intramolecular long-range electron transfer reactions between porphyrin and benzoquinone: Ab initio calculations of electronic coupling element

  S Hayashi; S Kato

  JOURNAL OF PHYSICAL CHEMISTRY A, Apr. 1998, Peer-reviewed

  
• REACTION DYNAMICS OF CHARGE-TRANSFER STATE FORMATION OF 4-(N,N-DIMETHYLAMINO)BENZONITRILE IN A METHANOL SOLUTION - THEORETICAL ANALYSES

  S HAYASHI; K ANDO; S KATO

  JOURNAL OF PHYSICAL CHEMISTRY, Jan. 1995, Peer-reviewed

  
• ELECTRONIC-STRUCTURES OF POLY-CATIONS AND POLY-ANIONS OF C60 - POSSIBLE MECHANISMS OF ORGANIC FERROMAGNETISM

  K YAMAGUCHI; S HAYASHI; M OKUMURA; M NAKANO; W MORI

  CHEMICAL PHYSICS LETTERS, Aug. 1994, Peer-reviewed

  

Presentations

• Crucial Role of Protein Flexibility in Enzymatic Catalysis

  Shigehiko Hayashi

  4th Indo-German Meeting on Modeling of Chemical and Biological Reactivity (MCBR4), 25 Feb. 2015, Invited

  
• 柔らかいタンパク質の分子機能の理解と設計

  林 重彦

  理研シンポジウム「生体分子系量子化学計算の最前線」, 23 Jan. 2015, Invited

  
• 柔らかいタンパク質の分子機能の理解と設計

  林 重彦

  CBI 学会 2014 年大会, 30 Oct. 2014, Invited

  
• Understanding and Designing Color Variants of Retinal Biding Proteins by Molecular Simulations

  Shigehiko Hayashi

  16th International Conference on Retinal Proteins, 05 Oct. 2014, Invited

  
• 柔らかいタンパク質の分子機能の理解と設計

  林 重彦

  第 14 回蛋白質科学会年会 公募型シンポジウム, 27 Jun. 2014, Invited

  
• Catalytic mechanism of NTPases

  Shigehiko Hayashi

  Tokyo ATPase Workshop, 02 Jun. 2014, Invited

  
• Crucial Role of Protein Flexibility in Enzymatic Catalysis

  Shigehiko Hayashi

  Les Houches-TSRC Workshop on Protein Dynamics, 20 May 2014, Invited

  
• 酵素機能における分子の柔らかさの役割

  林 重彦

  日本化学会第 94 春季年会中長期テーマシンポジウム「複雑系のための分子科学－理論研究によるアプローチ」, 27 Mar. 2014, Invited

  
• 柔らかいタンパク質の分子機能の理解と設計

  林 重彦

  自然科学研究機構計算科学研究センタースーパーコンピュータワークショップ 2014「計算化学の最新の成果と展開」, 21 Jan. 2014, Invited

  
• Crucial Role of Protein Flexibility in Enzymatic Catalysis

  Shigehiko Hayashi

  CRC-EC Joint Symposium on Chemical Theory on Complex System, 09 Jan. 2014, Invited

  
• Crucial Role of Protein Flexibility in Enzymatic Catalysis

  Shigehiko Hayashi

  3rd International Conference on Molecular Simulations, 20 Nov. 2013, Invited

  
• Crucial Role of Protein Flexibility in Enzymatic Catalysis

  Shigehiko Hayashi

  Telluride Science Research Center Workshop on “Protein Dynamics”, 08 Aug. 2013, Invited

  
• ハイブリッド分子シミュレーションでみる酵素の活性と柔らかさ

  林 重彦

  第 13 回蛋白質科学会ワークショップ「計算科学と計測科学の協働により明らかになる蛋白質構造ダイナミクスの現状と将来」, 14 Jun. 2013, Invited

  
• 光受容タンパク質の光吸収・蛍光スペクトルの理論的理解と合理的制御

  林 重彦

  蛋白研セミナー「光の、光による、光のための蛋白質科学」, 20 Apr. 2013, Invited

  
• 分子シミュレーションから見た酵素の活性と柔らかさ

  林 重彦

  日本化学会第 93 春季年会中長期テーマシンポジウム「複雑系のための分子科学－複雑さと柔らかさ」, 22 Mar. 2013, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  Fifth Korea-Japan Seminars on Biomolecular Sciences: Experiments and Simulations, 26 Feb. 2013, Invited

  
• ハイブリッド分子シミュレーションで探る酵素活性の分子機構

  林 重彦

  WIAS Top Runners’ Lecture Collection of Science「物質化学におけるコンピュータ利用の最前線」, 20 Nov. 2012, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  Fifth International Symposium on Atomically Controlled Fabrication Technology, 24 Oct. 2012, Invited

  
• 「理論解析」の観点から

  林 重彦

  第4回光操作研究会「動作原理の理解と行動制御への応用」, 27 Sep. 2012, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  14th International Congress of Quantum Chemistry, 30 Jun. 2012, Invited

  
• ハイブリッド分子シミュレーションで探る酵素活性の分子機構

  林 重彦

  新学術領域研究「水を主役としたＡＴＰエネルギー変換」第４回全体会議, 08 Mar. 2012, Invited

  
• Chemicalreaction dynamics in solution and enzymes: A tribute to the memory of Professor Shigeki Kato

  Shigehiko Hayashi

  The fifth Asian Pacific Conference of Theoretical and Computational Chemistry, 13 Dec. 2011, Invited

  
• ハイブリッド分子シミュレーションで探る酵素活性の分子機構

  林 重彦

  大阪大学蛋白質研究所セミナー「蛋白質科学の未来を語る – 実験・理論研究者の対話 –」, 21 Nov. 2011, Invited

  
• ハイブリッド分子シミュレーションで探る酵素反応の分子機構

  林 重彦

  分子研研究会「実験と理論による高次分子システムの機能発現の分子論的理解」, 02 Nov. 2011, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  IMS Symposium on "Recent Developments of Spectroscopy and Spatial and Temporal Hierarchical Structures in Molecular Science", 18 Oct. 2011, Invited

  
• Molecular mechanism of enzymatic reaction studied by the QM/MM reweighting free energy SCF method

  林 重彦

  日本生物物理学会・シンポジウム “New approaches for probing biomolecular fluctuations”, 17 Sep. 2011, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  Fukui International Symposium for Theoretical Chemistry, 01 Sep. 2011, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  Telluride Science Research Center Workshop on “Rise of the Machines: Integration of experiment, simulation and theory for a mechanistic understanding of biomolecular machines”, 09 Aug. 2011, Invited

  
• Molecular mechanisms of enzymatic catalysis in F1-ATPase and alpha-amylase

  Shigehiko Hayashi

  WATOC 2011, 21 Jul. 2011, Invited

  
• Hybrid molecular simulations toward understanding enzymatic catalysis

  Shigehiko Hayashi

  2011 Korea Japan Symposium on Molecular Science “New Visions for Spectroscopy & Computation: Temporal and Spatial Adventures of Molecular Science”, 06 Jul. 2011, Invited

  

Books and Other Publications

• Quantum Effects in Biology

  Shigehiko Hayashi, Contributor, Chapt. 11 Quantum Biology of Retinal

  Cambridge University Press, 2014, Not refereed

  
• 化学フロンティア 23 1 分子ナノバイオ計測－分子から生命システムを探る革新的技術

  林 重彦, Contributor, 第 6 章 ハイブリッド分子シミュレーションと実験研究の接点で見える生体分子機能のメカニズム

  化学同人, 2014, Not refereed

  
• DOJIN BIOSCIENCE 10 揺らぎ・ダイナミクスと生体機能－物理化学的視点からみた生体分子

  林 重彦, Contributor, 第 7.3 章 生体分子系の量子化学

  化学同人, 2013, Not refereed

  
• 岩波講座計算科学第 4 巻 計算と生命

  林 重彦, Contributor, 第 3.3 章 タンパク質の生物学的機能と化学反応

  岩波書店, 2012, Not refereed

  
• CSJ カレントレヴュー・巨大分子系の計算化学

  林 重彦, Contributor, 第 17 章 酵素反応と生体分子機能の分子シミュレーション

  化学同人, 2012, Not refereed

  
• タンパク質科学‐構造・物性・機能‐

  林 重彦, Contributor, 第5.3章 機能発現とダイナミクスのシミュレーション

  化学同人, 2005, Not refereed

  

External funds: Kakenhi

• ハイブリッド自由エネルギー最適化法によるタンパク質機能活性化の理論的解明

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Complex systems

  Kyoto University

  林 重彦

  From 01 Apr. 2020, To 31 Mar. 2022, Project Closed

  分子シミュレーション;ハイブリッド法;イクオリン;発光タンパク質;光受容体タンパク質;微生物型ロドプシン;光受容体チャネル;膜輸送体タンパク質;分子動力学法

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-20H05441/
• 分子再配向が制御するマンガンクラスターの酸素生成反応の理論的解明

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Complex systems

  Kyoto University

  林 重彦

  From 01 Apr. 2020, To 31 Mar. 2022, Project Closed

  光合成系 II;分子シミュレーション;ハイブリッド法;酸化還元電位;プロトン親和力;人工光合成アナログ錯体

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-20H05098/
• Theoretical Study on molecular mechanisms of functional processes of biological molecules

  Grant-in-Aid for Scientific Research (B)

  Basic Section 43040:Biophysics-related

  Kyoto University

  Shigehiko Hayashi

  From 01 Apr. 2019, To 31 Mar. 2022, Project Closed

  分子シミュレーション;ハイブリッド法;ロドプシン光受容体;リボザイム;薬剤耐性;酸化還元タンパク質;光受容体チャネル;生体分子機能;分子進化;チャネルロドプシン;イオンポンプ;QM/MM 法;MD シミュレーション

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-19H03195/
• Theoretical determination of protonation states of the manganese cluster in photosystem II

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Kyoto University

  林 重彦

  From 01 Apr. 2018, To 31 Mar. 2020, Project Closed

  光合成タンパク質;酸化還元金属錯体;分子シミュレーション;量子化学計算;分子動力学シミュレーション;QM/MM 法;分子動力学計算;酸化還元電位計算

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-18H05161/
• Theoretical Study of Molecular functions of Proteins

  Grant-in-Aid for Scientific Research (B)

  Kyoto University

  Shigehiko Hayashi

  From 01 Apr. 2016, To 31 Mar. 2019, Project Closed

  分子シミュレーション;光受容体タンパク質;酵素反応;光遺伝学;QM/MM 法;分子モーター;光受容体

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-16H04776/
• Support for International Activities of Studying the Function of Soft Molecular Systems by Concerted Use of Theory and Experiment

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Science and Engineering

  Institute of Physical and Chemical Research

  Tahei TAHARA

  From 06 Nov. 2015, To 31 Mar. 2018, Project Closed

  分子複雑系;理論・計算;先端計測;機能創成;分子科学

  https://kaken.nii.ac.jp/grant/KAKENHI-INTERNATIONAL-15K21740/
• Theoretical study on molecular mechanisms of protein functions

  Grant-in-Aid for Scientific Research (B)

  Kyoto University

  Shigehiko Hayashi

  From 01 Apr. 2013, To 31 Mar. 2016, Project Closed

  分子シミュレーション;ハイブリッド法;タンパク質;酵素反応;シグナル伝達タンパク質;光受容体;分子モーター;ハイブリッド QM/MM 法;分子動力学シミュレーション;酵素;モータータンパク質;アロステリック効果;G タンパク質;光受容タンパク質;光受容体タンパク質;多極子相互作用

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-25291034/
• Theoretical Analysis and Rational Design of Catalytic Activity of Flexible Molecules

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Science and Engineering

  Kyoto University

  Shigehiko HAYASHI

  From 28 Jun. 2013, To 31 Mar. 2018, Project Closed

  分子シミュレーション;量子化学計算;分子動力学法;ハイブリッド法;シグナル伝達タンパク質;光受容体タンパク質;機能性有機分子集合体;酵素活性;QM/MM 法;分子機能;酵素反応;超分子;膜輸送体;イオン結合タンパク質;光受容タンパク質;ハイブリッド QM/MM 法;光遺伝学;自己組織化分子;発光タンパク質;電子伝達タンパク質;モータータンパク質;酵素設計

  https://kaken.nii.ac.jp/grant/KAKENHI-PLANNED-25104004/
• Investigation of color tuning mechanism in rhodopsins and production of multi-colored pigments

  Grant-in-Aid for Challenging Exploratory Research

  Nagoya University

  Yuki SUDO

  From 01 Apr. 2011, To 31 Mar. 2014, Project Closed

  色;タンパク質;光;実験と理論の融合;生物物理;シグナル伝達;生体分子;分子認識;分子機械;超分子化学;ナノバイオ;ロドプシン

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23657100/
• タンパク質機能におけるｐＫａ制御の分子機構

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Science and Engineering

  Kyoto University

  林 重彦

  From 01 Apr. 2011, To 31 Mar. 2013, Project Closed

  pKa 計算;QM/MM 法;分子動力学法;リゾチーム;緑色蛍光タンパク質;pKa計算;QM/MM;バクテリオロドプシン;タンパク質膜挿入

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-23107717/
• Theoretical study of molecular mechanism of protein functions

  Grant-in-Aid for Scientific Research (B)

  Kyoto University

  Shigehiko HAYASHI

  From 01 Apr. 2010, To 31 Mar. 2013, Project Closed

  タンパク質機能;酵素反応;QM/MM 法;分子動力学法;分子シミュレーション;リン酸加水分解;動力学法;QM/MM-FF法;構造変化経路探索;線形応答理論;カルモジュリン;分散-共分散行列;QM/MM-FE法

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22370058/
• Innovative nanoscience of supermolecular motor proteins working in biomembranes

  Grant-in-Aid for Scientific Research on Priority Areas

  Biological Sciences

  The University of Tokyo;Osaka University

  Hiroyuki NOJI

  From 01 Apr. 2006, To 31 Mar. 2011, Project Closed

  1分子計測;分子モーター;生物物理;MEMS;MD/QM;MD;QM;回転分子モーター;生体膜;ナノバイオ;エネルギー変換;分子シミュレーション;1 分子計測;ナノバイオロジー;ナノバイオテクノロジー;ATP合成酵素;べん毛モーター;マイクロ

  https://kaken.nii.ac.jp/grant/KAKENHI-ORGANIZER-18074007/
• Molecular mechanism of chemical-mechanical energy conversion of F1 molecular motor studied by molecular simulations

  Grant-in-Aid for Scientific Research on Priority Areas

  Biological Sciences

  Kyoto University

  Shigehiko HAYASHI

  From 01 Apr. 2006, To 31 Mar. 2011, Project Closed

  分子モーター;酵素反応;分子シミュレーション;QM;MM法;分子動力学法;F_1-ATPase;QM/MM法;自由エネルギー計算;酵素設計;分子軌道法;ハイブリッドQM;F1-ATP合成酵素;ATP加水分解;ローダミン蛍光分子

  https://kaken.nii.ac.jp/grant/KAKENHI-PLANNED-18074004/
• Theoretical study on functional activations of proteins by a hybrid free energy geometry optimization method

  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

  Complex systems

  Kyoto University

  林 重彦

  From 01 Apr. 2022, To 31 Mar. 2024, Project Closed

  分子シミュレーション;ハイブリッド法;イクオリン;発光タンパク質;光受容体輸送体;光受容イオン輸送体

  https://kaken.nii.ac.jp/grant/KAKENHI-PUBLICLY-22H04748/
• Theoretical study on molecular mechanisms of biomolecular functions

  Grant-in-Aid for Scientific Research (B)

  Basic Section 43040:Biophysics-related

  Kyoto University

  林 重彦

  From 01 Apr. 2022, To 31 Mar. 2025, Granted

  分子シミュレーション;ハイブリッド法;ロドプシン;光合成系II;共有結合型阻害剤

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22H02582/
• Generative design of protein molecular functions by molecular simulations

  Grant-in-Aid for Transformative Research Areas (A)

  Transformative Research Areas, Section (II)

  Kyoto University

  林 重彦

  From 01 Apr. 2024, To 31 Mar. 2029, Granted

  分子シミュレーション;光受容イオン膜輸送体;バイオセンサー;酵素;デザイナーリガンド膜受容体;ハイブリッド法;酵素改変;チャネルロドプシン;人工酵素タンパク質;Gタンパク質結合型受容体

  https://kaken.nii.ac.jp/grant/KAKENHI-PLANNED-24H02259/
• Generative design to unlock the potential of protein function

  Grant-in-Aid for Transformative Research Areas (A)

  Transformative Research Areas, Section (II)

  Kyoto University

  林 重彦

  From 01 Apr. 2024, To 31 Mar. 2029, Granted

  分子シミュレーション;光受容イオン輸送体;バイオセンサー;酵素;デザイナーリガンド

  https://kaken.nii.ac.jp/grant/KAKENHI-ORGANIZER-24H02258/
• Generative design to unlock the potential of protein function

  Grant-in-Aid for Transformative Research Areas (A)

  From 01 Apr. 2024, To 31 Mar. 2029

  https://kaken.nii.ac.jp/grant/KAKENHI-AREA-24A207/
• Theoretical Study on molecular mechanisms of biomolecules

  Grant-in-Aid for Scientific Research (B)

  Basic Section 43040:Biophysics-related

  Kyoto University

  林 重彦

  From 01 Apr. 2024, To 31 Mar. 2025, Project Closed

  分子シミュレーション;ハイブリッド法;ロドプシン;光合成系II;共有結合型阻害剤

  https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23K23846/
• Generative design to unlock the potential of protein function

  Grant-in-Aid for Transformative Research Areas (A)

  From 01 Apr. 2024, To 31 Mar. 2029

  https://kaken.nii.ac.jp/grant/KAKENHI-AREA-24A207/

Education

Teaching subject(s)

• From 01 Apr. 2025, To 31 Mar. 2026

  Essentials of Basic Physical Chemistry

  N359, Spring, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2025, To 31 Mar. 2026

  Essentials of Basic Physical Chemistry

  N359, Fall, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2025, To 31 Mar. 2026

  Special study course II (Chemistry) 4

  5631, Year-long, Faculty of Science, 12
• From 01 Apr. 2025, To 31 Mar. 2026

  Advanced Theoretical Chemistry IID

  7147, Fall, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Advanced Theoretical Chemistry IIC

  7146, Spring, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Seminar on Theoretical Chemistry IIC

  7042, Spring, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Seminar on Theoretical Chemistry IIB

  7041, Fall, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Seminar on Theoretical Chemistry IIA

  7040, Spring, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Advanced Theoretical Chemistry IIB

  7145, Fall, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Advanced Theoretical Chemistry IIA

  7144, Spring, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Seminar on Theoretical Chemistry IID

  7043, Fall, Graduate School of Science, 1
• From 01 Apr. 2025, To 31 Mar. 2026

  Principles of Quantum Chemistry

  7000, Spring, Graduate School of Science, 2
• From 01 Apr. 2025, To 31 Mar. 2026

  Statistical Mechanics of Chemical Systems

  3623, Fall, Faculty of Science, 2
• From 01 Apr. 2025, To 31 Mar. 2026

  Quantum Chemistry II

  8629, Spring, Faculty of Science, 2
• From 01 Apr. 2024, To 31 Mar. 2025

  Essentials of Basic Physical Chemistry

  N359, Spring, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2024, To 31 Mar. 2025

  Essentials of Basic Physical Chemistry

  N359, Fall, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2024, To 31 Mar. 2025

  Special study course II (Chemistry) 4

  5631, Year-long, Faculty of Science, 12
• From 01 Apr. 2024, To 31 Mar. 2025

  Seminar on Theoretical Chemistry IIA

  7040, Spring, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Seminar on Theoretical Chemistry IID

  7043, Fall, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Seminar on Theoretical Chemistry IIC

  7042, Spring, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Seminar on Theoretical Chemistry IIB

  7041, Fall, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Advanced Theoretical Chemistry IIA

  7144, Spring, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Advanced Theoretical Chemistry IID

  7147, Fall, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Advanced Theoretical Chemistry IIC

  7146, Spring, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Advanced Theoretical Chemistry IIB

  7145, Fall, Graduate School of Science, 1
• From 01 Apr. 2024, To 31 Mar. 2025

  Principles of Quantum Chemistry

  7000, Spring, Graduate School of Science, 2
• From 01 Apr. 2024, To 31 Mar. 2025

  Quantum Chemistry II

  8629, Spring, Faculty of Science, 2
• From 01 Apr. 2024, To 31 Mar. 2025

  Statistical Mechanics of Chemical Systems

  3623, Fall, Faculty of Science, 2
• From 01 Apr. 2023, To 31 Mar. 2024

  Essentials of Basic Physical Chemistry

  N359, Spring, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2023, To 31 Mar. 2024

  Essentials of Basic Physical Chemistry

  N359, Fall, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2023, To 31 Mar. 2024

  Special study course II (Chemistry) 4

  5631, Year-long, Faculty of Science, 12
• From 01 Apr. 2023, To 31 Mar. 2024

  Seminar on Theoretical Chemistry IIB

  7041, Fall, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Seminar on Theoretical Chemistry IIA

  7040, Spring, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Advanced Theoretical Chemistry IIA

  7144, Spring, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Seminar on Theoretical Chemistry IID

  7043, Fall, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Seminar on Theoretical Chemistry IIC

  7042, Spring, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Advanced Theoretical Chemistry IID

  7147, Fall, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Advanced Theoretical Chemistry IIC

  7146, Spring, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Advanced Theoretical Chemistry IIB

  7145, Fall, Graduate School of Science, 1
• From 01 Apr. 2023, To 31 Mar. 2024

  Quantum Chemistry II

  8629, Spring, Faculty of Science, 2
• From 01 Apr. 2023, To 31 Mar. 2024

  Statistical Mechanics of Chemical Systems

  3623, Fall, Faculty of Science, 2
• From 01 Apr. 2023, To 31 Mar. 2024

  Principles of Quantum Chemistry

  7000, Spring, Graduate School of Science, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Essentials of Basic Physical Chemistry

  N359, Spring, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Seminar on Theoretical Chemistry IID

  7043, Fall, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Essentials of Basic Physical Chemistry

  N359, Fall, Institute for Liberal Arts and Sciences, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Advanced Theoretical Chemistry IID

  7147, Fall, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Statistical Mechanics of Chemical Systems

  3623, Fall, Faculty of Science, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Special study course II (Chemistry) 4

  5631, Year-long, Faculty of Science, 12
• From 01 Apr. 2022, To 31 Mar. 2023

  Seminar on Theoretical Chemistry IIC

  7042, Spring, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Advanced Theoretical Chemistry IIA

  7144, Spring, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Advanced Theoretical Chemistry IIC

  7146, Spring, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Quantum Chemistry II

  8629, Spring, Faculty of Science, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Special Lecture on Chemistry 1

  7248, Year-long, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Principles of Quantum Chemistry

  7000, Spring, Graduate School of Science, 2
• From 01 Apr. 2022, To 31 Mar. 2023

  Seminar on Theoretical Chemistry IIB

  7041, Fall, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Seminar on Theoretical Chemistry IIA

  7040, Spring, Graduate School of Science, 1
• From 01 Apr. 2022, To 31 Mar. 2023

  Advanced Theoretical Chemistry IIB

  7145, Fall, Graduate School of Science, 1
• From Apr. 2011, To Mar. 2012

  理論化学演習ⅡA

  Spring, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学演習ⅡB

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学演習ⅡC

  Spring, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学演習ⅡD

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  量子化学概論

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  化学量子論

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学ゼミナールⅡA

  Spring, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学ゼミナールⅡB

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学ゼミナールⅡC

  Spring, 理学研究科
• From Apr. 2011, To Mar. 2012

  理論化学ゼミナールⅡD

  Fall, 理学研究科
• From Apr. 2011, To Mar. 2012

  化学課題研究４

  Year-long, 理学部
• From Apr. 2011, To Mar. 2012

  量子化学Ｉ

  Spring, 理学部
• From Apr. 2011, To Mar. 2012

  量子化学II

  Fall, 理学部
• From Apr. 2012, To Mar. 2013

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2012, To Mar. 2013

  Quantum Chemistry II

  Fall, 理学部
• From Apr. 2012, To Mar. 2013

  Quantum Chemistry I

  Spring, 理学部
• From Apr. 2012, To Mar. 2013

  Quantum Chemistry I

  Fall, 理学部
• From Apr. 2013, To Mar. 2014

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2013, To Mar. 2014

  Quantum Chemistry I

  Fall, 理学部
• From Apr. 2013, To Mar. 2014

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2014, To Mar. 2015

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2014, To Mar. 2015

  Quantum Chemistry I

  Fall, 理学部
• From Apr. 2014, To Mar. 2015

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2014, To Mar. 2015

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2014, To Mar. 2015

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2014, To Mar. 2015

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2014, To Mar. 2015

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2014, To Mar. 2015

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2014, To Mar. 2015

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2014, To Mar. 2015

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2014, To Mar. 2015

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2014, To Mar. 2015

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2015, To Mar. 2016

  Advanced Quantum Chemistry

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2015, To Mar. 2016

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2015, To Mar. 2016

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2015, To Mar. 2016

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2015, To Mar. 2016

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2015, To Mar. 2016

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2015, To Mar. 2016

  Quantum Chemistry I

  Fall, 理学部
• From Apr. 2015, To Mar. 2016

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2016, To Mar. 2017

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2016, To Mar. 2017

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2016, To Mar. 2017

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2016, To Mar. 2017

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2016, To Mar. 2017

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2016, To Mar. 2017

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2016, To Mar. 2017

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2016, To Mar. 2017

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2016, To Mar. 2017

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2016, To Mar. 2017

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2016, To Mar. 2017

  Quantum Chemistry I

  Fall, 理学部
• From Apr. 2016, To Mar. 2017

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2017, To Mar. 2018

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2017, To Mar. 2018

  Advanced Quantum Chemistry

  Fall, 理学研究科
• From Apr. 2017, To Mar. 2018

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2017, To Mar. 2018

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2017, To Mar. 2018

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2017, To Mar. 2018

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2017, To Mar. 2018

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2017, To Mar. 2018

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2017, To Mar. 2018

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2017, To Mar. 2018

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2017, To Mar. 2018

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2017, To Mar. 2018

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2018, To Mar. 2019

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2018, To Mar. 2019

  Basic Physical Chemistry (thermodynamics)

  Fall, 全学共通科目
• From Apr. 2018, To Mar. 2019

  Basic Physical Chemistry(quantum theory)

  Spring, 全学共通科目
• From Apr. 2018, To Mar. 2019

  Practice of Basic Informatics (Faculty of Science)

  Fall, 全学共通科目
• From Apr. 2018, To Mar. 2019

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2018, To Mar. 2019

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2018, To Mar. 2019

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2018, To Mar. 2019

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2018, To Mar. 2019

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2018, To Mar. 2019

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2018, To Mar. 2019

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2018, To Mar. 2019

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2018, To Mar. 2019

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2018, To Mar. 2019

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2019, To Mar. 2020

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2019, To Mar. 2020

  Basic Physical Chemistry (thermodynamics)

  Spring, 全学共通科目
• From Apr. 2019, To Mar. 2020

  Basic Physical Chemistry (thermodynamics)

  Fall, 全学共通科目
• From Apr. 2019, To Mar. 2020

  Basic Physical Chemistry(quantum theory)

  Spring, 全学共通科目
• From Apr. 2019, To Mar. 2020

  Practice of Basic Informatics (Faculty of Science)

  Fall, 全学共通科目
• From Apr. 2019, To Mar. 2020

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2019, To Mar. 2020

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2019, To Mar. 2020

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2019, To Mar. 2020

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2019, To Mar. 2020

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2019, To Mar. 2020

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2019, To Mar. 2020

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2019, To Mar. 2020

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2019, To Mar. 2020

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2019, To Mar. 2020

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2020, To Mar. 2021

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2020, To Mar. 2021

  Basic Physical Chemistry (thermodynamics)

  Fall, 全学共通科目
• From Apr. 2020, To Mar. 2021

  Essentials of Basic Physical Chemistry

  Spring, 全学共通科目
• From Apr. 2020, To Mar. 2021

  Essentials of Basic Physical Chemistry

  Fall, 全学共通科目
• From Apr. 2020, To Mar. 2021

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2020, To Mar. 2021

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2020, To Mar. 2021

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2020, To Mar. 2021

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2020, To Mar. 2021

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2020, To Mar. 2021

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2020, To Mar. 2021

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2020, To Mar. 2021

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2020, To Mar. 2021

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2020, To Mar. 2021

  Principles of Quantum Chemistry

  Spring, 理学研究科
• From Apr. 2021, To Mar. 2022

  Statistical Mechanics of Chemical Systems

  Fall, 理学部
• From Apr. 2021, To Mar. 2022

  Special study course II (Chemistry) 4

  Year-long, 理学部
• From Apr. 2021, To Mar. 2022

  Essentials of Basic Physical Chemistry

  Spring, 全学共通科目
• From Apr. 2021, To Mar. 2022

  Essentials of Basic Physical Chemistry

  Fall, 全学共通科目
• From Apr. 2021, To Mar. 2022

  Seminar on Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2021, To Mar. 2022

  Seminar on Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2021, To Mar. 2022

  Seminar on Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2021, To Mar. 2022

  Seminar on Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2021, To Mar. 2022

  Advanced Theoretical Chemistry IIA

  Spring, 理学研究科
• From Apr. 2021, To Mar. 2022

  Advanced Theoretical Chemistry IIB

  Fall, 理学研究科
• From Apr. 2021, To Mar. 2022

  Advanced Theoretical Chemistry IIC

  Spring, 理学研究科
• From Apr. 2021, To Mar. 2022

  Advanced Theoretical Chemistry IID

  Fall, 理学研究科
• From Apr. 2021, To Mar. 2022

  Quantum Chemistry II

  Spring, 理学部
• From Apr. 2021, To Mar. 2022

  Principles of Quantum Chemistry

  Spring, 理学研究科

Participation in PhD Defense

• Non-equilibrium quantum thermodynamics described as the free entropies

  KOYANAGI SHOKI, Graduate School of Science, Sub-chief Examiner

  24 Mar. 2025
• Free energy analysis related to biomolecular functions by QM/MM hybrid method

  SHIKAKURA TAKAFUMI, Graduate School of Science, Chief Examiner

  24 Mar. 2025
• Molecular dynamics study focusing on flexible molecular assemblies

  山本　裕生, Graduate School of Science, Chief Examiner

  24 Mar. 2025
• Studies on the photo-induced conformational changes of blue light sensor BLUF proteins

  TOKONAMI SHUNROU, Graduate School of Science, Sub-chief Examiner

  25 Mar. 2024
• Response of Nitrogen-Fixing Filamentous Cyanobacteria to Environmental Changes Analyzed by a Parallelized Near Infrared Excitation Spontaneous Raman Scattering Spectral Microscope

  TAMAMIZU KOUTO, Graduate School of Science, Sub-chief Examiner

  25 Mar. 2024
• Development of wavefunction theory for the excited states of π-conjugated molecular aggregates and its application

  NISHIO SOICHIRO, Graduate School of Science, Sub-chief Examiner

  24 Nov. 2023
• Exciton Transfer in Organic Photovoltaic Cells: A Theoretical Study.

  CAINELLI MAURO, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2023
• Applications of Real and Imaginary time Hierarchical Equations of Motion

  Jiaji ZHANG, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2023
• Theoretical Study of Quantum Systems Coupled with Multiple Baths: Application to ■SR and Nonlinear Vibrational Spectroscopies

  TAKAHASHI HIDEAKI, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2023
• Studies on interaction between light sensor protein PYP and its downstream protein PBP

  Kim Suhyang, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2022
• Light-intensity dependent photoreaction and enzyme activity of BlrP1

  SHIBATA KOUSEI, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2022
• Hierarchical equations of motion for open quantum systems consisting of many energy states

  NAKAMURA KIYOTO, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2022
• Quantum mechanics of periodic dissipative systems: Application to rotational systems and finite dimensional systems

  IWAMOTO YUKI, Graduate School of Science, Sub-chief Examiner

  23 Mar. 2022
• Modeling System Bath Hamiltonian with a Machine Learning Approach

  UENO SEIJI, Graduate School of Science, Sub-chief Examiner

  24 Sep. 2021

Part-time lecturer

• From 01 Sep. 2022, To 30 Sep. 2022

  神戸大学, 大学院理学研究科

Administration

School management (title, position)

• From 01 Apr. 2025, To 31 Mar. 2026

  国際高等教育院 企画評価専門委員会 化学部会
• From 01 Apr. 2025, To 31 Mar. 2026

  教職教育委員会教職科目連絡小委員会 委員
• From 01 Apr. 2025, To 31 Mar. 2027

  教職教育委員会 委員
• From 01 Apr. 2024, To 31 Mar. 2025

  教職教育委員会教職科目連絡小委員会 委員
• From 01 Apr. 2008, To 31 Mar. 2011

  情報教育専門委員会 委員
• From 01 May 2015, To 31 Mar. 2017

  大学評価委員会点検・評価実行委員会 委員
• From 01 Apr. 2017

  大学評価委員会点検・評価実行委員会 委員
• From 01 Apr. 2017, To 31 Mar. 2019

  国際高等教育院 企画評価専門委員会 委員
• From 01 May 2017, To 31 Mar. 2018

  国際高等教育院 企画評価専門委員会 化学部会 委員
• From 01 Apr. 2018, To 31 Mar. 2019

  国際高等教育院 企画評価専門委員会 化学部会 委員
• From 01 Apr. 2017, To 31 Mar. 2019

  国際高等教育院 基盤企画評価専門委員会 委員
• From 01 Apr. 2017, To 31 Mar. 2018

  大学評価委員会点検・評価実行委員会 委員
• From 01 May 2015

  大学評価委員会点検・評価実行委員会 委員
• From 01 May 2015, To 31 Mar. 2019

  大学評価委員会点検・評価実行委員会 委員
• From 01 Apr. 2020, To 31 Mar. 2022

  純正化学系 学系長

Faculty management (title, position)

• From 01 Apr. 2025, To 31 Mar. 2026

  理学部・教育委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学部・教育委員会　全学共通教育委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学部・教育委員会　情報・統計・データ科学教育委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学部・教育委員会　アドミッション委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学研究科 MACS運営小委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学研究科 情報セキュリティ委員会委員
• From 01 Apr. 2025, To 31 Mar. 2026

  理学研究科 情報セキュリティ委員会　ネットワーク小委員会委員
• From 01 Apr. 2024, To 31 Mar. 2025

  理学部・教育委員会委員
• From 01 Apr. 2024, To 31 Mar. 2025

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2023, To 31 Mar. 2024

  理学研究科SACRA学際融合部門委員会委員
• From 01 Apr. 2023, To 31 Mar. 2024

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2023, To 31 Mar. 2024

  理学研究科情報セキュリティ委員会ネットワーク小委員会委員
• From 01 Apr. 2023, To 31 Mar. 2024

  理学研究科研究科会議構成員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学研究科自己点検・評価委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学部・教育委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学部・教育委員会　教務委員会委員長
• From 01 Apr. 2022, To 31 Mar. 2023

  理学部・教育委員会　全学共通教育委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学研究科大学院教育常任委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学研究科SACRA学際融合部門委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2022, To 31 Mar. 2023

  理学研究科情報セキュリティ委員会　ネットワーク小委員会委員
• From 01 Apr. 2022, To 31 Mar. 2024

  学術情報メディアセンター全国共同利用運営委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  化学専攻副専攻長
• From 01 Apr. 2015, To 31 Mar. 2019

  福井謙一記念研究センター運営委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科将来計画委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科大学院教育教務委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科情報・広報委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科情報・広報委員会　ネットワーク・Ｗｅｂ管理小委員会委員
• From 01 Apr. 2014, To 31 Mar. 2015

  理学研究科会議構成員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科将来計画委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科自己点検・評価委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科大学院教育常任委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科大学院教育教務委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科情報・広報委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科情報・広報委員会　ネットワーク・Ｗｅｂ管理小委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科社会交流室運営委員会委員
• From 01 Apr. 2015, To 31 Mar. 2016

  理学研究科会議構成員
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科化学専攻長
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科将来計画委員会委員
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科自己点検・評価委員会委員
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科情報・広報委員会委員
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2016, To 31 Mar. 2017

  理学研究科情報・広報委員会　ネットワーク・Ｗｅｂ管理小委員会委員
• From 01 Apr. 2018, To 31 Mar. 2022

  学術情報メディアセンター 全国共同利用運営委員会 委員
• From 01 Apr. 2018, To 31 Mar. 2019

  福井謙一記念研究センター 副センター長
• From 01 Apr. 2015, To 31 Mar. 2021

  福井謙一記念研究センター運営委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学研究科自己点検・評価委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学部・教育委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学部・教育委員会　教務委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学部・教育委員会　少人数担任委員会委員
• From 01 Apr. 2019, To 31 Mar. 2021

  理学研究科サイエンス連携探索センター（SACRA)運営協議会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学研究科SACRA学際融合部門委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2019, To 31 Mar. 2020

  理学研究科情報セキュリティ委員会　ネットワーク小委員会委員長
• From 01 Apr. 2020, To 31 Mar. 2021

  理学部・教育委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学部・教育委員会　教務委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学部・教育委員会　少人数担任委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学研究科SACRA学際融合部門委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2020, To 31 Mar. 2021

  理学研究科情報セキュリティ委員会　ネットワーク小委員会委員
• From 19 Jan. 0004, To 21 0003

  高等教育研究開発推進センター協議員会協議員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学部・教育委員会委員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学部・教育委員会　常任委員会委員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学部・教育委員会　教務委員会委員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学研究科SACRA学際融合部門委員会委員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学研究科情報セキュリティ委員会委員
• From 01 Apr. 2021, To 31 Mar. 2022

  理学研究科情報セキュリティ委員会　ネットワーク小委員会委員
• From 01 Apr. 2021, To 31 Mar. 2023

  福井謙一記念研究センター運営委員会委員
• From 01 Apr. 2021, To 31 Mar. 2023

  福井謙一記念研究センター副センター長
• From 01 Apr. 2021, To 31 Mar. 2023

  福井謙一記念研究センター協議員会協議員