中農 浩史

Last Update: 2021/06/14 10:03:14

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Name(Kanji/Kana/Abecedarium Latinum)
中農 浩史/ナカノ ヒロシ/Nakano, Hiroshi
Primary Affiliation(Org1/Job title)
Graduate School of Engineering/Assistant Professor
Faculty
Org1 Job title
工学部
Concurrent Affiliation
Org1 Job title
Center for the Promotion of Interdisciplinary Education and Research (C-PiER)
Contact Address
Type Address(Japanese) Address(English)
Office 〒615-8510 京都市西京区京都大学桂 Nishikyo-ku, kyoto, 610-8510, Japan
Phone
Type Number
Office 075-383-2547
Academic Organizations You are Affiliated to in Japan
Organization name(Japanese) Organization name(English)
分子科学会
日本化学会
Academic Degree
Field(Japanese) Field(English) University(Japanese) University(English) Method
修士(理学) 京都大学
博士(理学) 京都大学
ORCID ID
https://orcid.org/0000-0001-7487-1579
researchmap URL
https://researchmap.jp/7000009368
Research Topics
(Japanese)
理論化学、凝縮相中の化学反応・電子移動
(English)
Theoretical chemistry; Chemical reactions and electron transfer in condensed phases
Overview of the research
(Japanese)
膨大な数の電子と原子核が存在する凝縮相中で起こる電子移動などの化学現象を調べるために、主に量子力学と統計力学に立脚した新規理論手法の開発を行っている。
(English)
I am developing quantum mechanical and statistical mechanical methods to investigate chemical phenomena such as electron transfer reactions in condensed phases.
Fields of research (key words)
Key words(Japanese) Key words(English)
理論化学 Theoretical chemistry
Published Papers
Author Author(Japanese) Author(English) Title Title(Japanese) Title(English) Bibliography Bibliography(Japanese) Bibliography(English) Publication date Refereed paper Language Publishing type Disclose
Kaori Fujii, Tomoaki Yagi, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Kaori Fujii, Tomoaki Yagi, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Kaori Fujii, Tomoaki Yagi, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski–Collins–Kimball equation Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski–Collins–Kimball equation Experimental and theoretical study on p-aminophenylthyil radical geminate recombination in ionic liquids; analysis using the Smoluchowski–Collins–Kimball equation The Journal of Chemical Physics, 154, 15, 154504-154504 The Journal of Chemical Physics, 154, 15, 154504-154504 The Journal of Chemical Physics, 154, 15, 154504-154504 2021/04/21 Refereed Research paper(scientific journal) Disclose to all
Jun Oshiki, Hiroshi Nakano, Hirofumi Sato Jun Oshiki, Hiroshi Nakano, Hirofumi Sato Jun Oshiki, Hiroshi Nakano, Hirofumi Sato Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding The Journal of Chemical Physics, 154, 14, 144107-144107 The Journal of Chemical Physics, 154, 14, 144107-144107 The Journal of Chemical Physics, 154, 14, 144107-144107 2021/04/14 Refereed Research paper(scientific journal) Disclose to all
Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products Physical Chemistry Chemical Physics, 23, 8, 4569-4579 Physical Chemistry Chemical Physics, 23, 8, 4569-4579 Physical Chemistry Chemical Physics, 23, 8, 4569-4579 2021 Refereed Research paper(scientific journal) Disclose to all
Ken Takahashi, Hiroshi Nakano, Hirofumi Sato Ken Takahashi, Hiroshi Nakano, Hirofumi Sato Ken Takahashi, Hiroshi Nakano, Hirofumi Sato A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons A polarizable molecular dynamics method for electrode–electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons The Journal of Chemical Physics, 153, 5, 054126-054126 The Journal of Chemical Physics, 153, 5, 054126-054126 The Journal of Chemical Physics, 153, 5, 054126-054126 2020/08/07 Refereed Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems The Journal of Chemical Physics, 152, 22, 224103-224103 The Journal of Chemical Physics, 152, 22, 224103-224103 The Journal of Chemical Physics, 152, 22, 224103-224103 2020/06/14 Refereed Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations The Journal of Chemical Physics, 151, 16, 164123-164123 The Journal of Chemical Physics, 151, 16, 164123-164123 The Journal of Chemical Physics, 151, 16, 164123-164123 2019/10/28 Refereed Research paper(scientific journal) Disclose to all
Kento Kosugi, Hiroshi Nakano, Hirofumi Sato Kento Kosugi, Hiroshi Nakano, Hirofumi Sato Kento Kosugi, Hiroshi Nakano, Hirofumi Sato SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction Journal of Chemical Theory and Computation, 15, 9, 4965-4973 Journal of Chemical Theory and Computation, 15, 9, 4965-4973 Journal of Chemical Theory and Computation, 15, 9, 4965-4973 2019/09/10 Refereed Research paper(scientific journal) Disclose to all
中農 浩史, 佐藤 啓文 中農 浩史, 佐藤 啓文 Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface 金属電極電解液界面の古典動力学シミュレーション Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface Journal of Computer Chemistry, Japan, 18, 1, 9-17 Journal of Computer Chemistry, Japan, 18, 1, 9-17 , 18, 1, 9-17 2019/01 Refereed Japanese Research paper(scientific journal) Disclose to all
Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models CHEMICAL PHYSICS LETTERS, 681, 80-85 CHEMICAL PHYSICS LETTERS, 681, 80-85 CHEMICAL PHYSICS LETTERS, 681, 80-85 2017/08 Refereed English Research paper(scientific journal) Disclose to all
Kento Kasahara, Hiroshi Nakano, Hirofumi Sato Kento Kasahara, Hiroshi Nakano, Hirofumi Sato Kento Kasahara, Hiroshi Nakano, Hirofumi Sato Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 2017/05 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 2017/04 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato Hiroshi Nakano, Hirofumi Sato An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 2016/03 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 2015/05 Refereed English Research paper(scientific journal) Disclose to all
Takuya Wada, Hiroshi Nakano, Hirofumi Sato Takuya Wada, Hiroshi Nakano, Hirofumi Sato Takuya Wada, Hiroshi Nakano, Hirofumi Sato Solvatochromic Shift of Brooker’s Merocyanine: Hartree–Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect Solvatochromic Shift of Brooker’s Merocyanine: Hartree–Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect Solvatochromic Shift of Brooker’s Merocyanine: Hartree–Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect Journal of Chemical Theory and Computation, 10, 10, 4535-4547 Journal of Chemical Theory and Computation, 10, 10, 4535-4547 Journal of Chemical Theory and Computation, 10, 10, 4535-4547 2014/10/14 Research paper(scientific journal) Disclose to all
Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 2014/05 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 2013/01 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Including charge penetration effects into the ESP derived partial charge operator Including charge penetration effects into the ESP derived partial charge operator Including charge penetration effects into the ESP derived partial charge operator CHEMICAL PHYSICS LETTERS, 546, 80-85 CHEMICAL PHYSICS LETTERS, 546, 80-85 CHEMICAL PHYSICS LETTERS, 546, 80-85 2012/09 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Hiroshi Nakano, Takeshi Yamamoto Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent JOURNAL OF CHEMICAL PHYSICS, 136, 13 JOURNAL OF CHEMICAL PHYSICS, 136, 13 JOURNAL OF CHEMICAL PHYSICS, 136, 13 2012/04 Refereed English Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids JOURNAL OF CHEMICAL PHYSICS, 132, 4 JOURNAL OF CHEMICAL PHYSICS, 132, 4 JOURNAL OF CHEMICAL PHYSICS, 132, 4 2010/01 Refereed English Research paper(scientific journal) Disclose to all

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Title language:
Conference Activities & Talks
Title Title(Japanese) Title(English) Conference Conference(Japanese) Conference(English) Promotor Promotor(Japanese) Promotor(English) Date Language Assortment Disclose
電極-電解質界面における電子移動の微視的理解:新規第一原理計算手法の開発[Invited] 電極-電解質界面における電子移動の微視的理解:新規第一原理計算手法の開発 [Invited] 若手が描く分子理論の未来 若手が描く分子理論の未来 2017/09 Japanese Oral presentation(general) Disclose to all
QM/MM free energy calculation for electron transfer reactions[Invited] QM/MM free energy calculation for electron transfer reactions [Invited] QM/MM free energy calculation for electron transfer reactions [Invited] Free energy calculations: Three decades of adventure in chemistry and biophysics Free energy calculations: Three decades of adventure in chemistry and biophysics Free energy calculations: Three decades of adventure in chemistry and biophysics 2017/07 English Oral presentation(invited, special) Disclose to all
Solvent Electronic Polarization Effects on a Charge Transfer Excitation Studied by the Mean-Field QM/MM Method Solvent Electronic Polarization Effects on a Charge Transfer Excitation Studied by the Mean-Field QM/MM Method Solvent Electronic Polarization Effects on a Charge Transfer Excitation Studied by the Mean-Field QM/MM Method ICCMSE 2015 (Greece) ICCMSE 2015 (Greece) ICCMSE 2015 (Greece) 2015/03/23 English Oral presentation(general) Disclose to all
電子移動反応に対する媒質の電子分極効果[Invited] 電子移動反応に対する媒質の電子分極効果 [Invited] 凝縮系の理論化学 凝縮系の理論化学 2015/03/09 Japanese Oral presentation(invited, special) Disclose to all
A quantum chemical approach to analyze orbital energy shifts of a molecule in solution: decomposition to the interaction sites' contributions A quantum chemical approach to analyze orbital energy shifts of a molecule in solution: decomposition to the interaction sites' contributions A quantum chemical approach to analyze orbital energy shifts of a molecule in solution: decomposition to the interaction sites' contributions 50th Symposium on Theoretical Chemistry (Vienna 2014) 50th Symposium on Theoretical Chemistry (Vienna 2014) 50th Symposium on Theoretical Chemistry (Vienna 2014) 2014/09/14 English Poster presentation Disclose to all
A quantum chemical approach to analyze the orbital energy shift of a molecule in solution: decomposition to the solute fragments' contributions A quantum chemical approach to analyze the orbital energy shift of a molecule in solution: decomposition to the solute fragments' contributions A quantum chemical approach to analyze the orbital energy shift of a molecule in solution: decomposition to the solute fragments' contributions Joint EMLG-JMLG annual conference (Rome 2014) Joint EMLG-JMLG annual conference (Rome 2014) Joint EMLG-JMLG annual conference (Rome 2014) 2014/09/07 English Poster presentation Disclose to all
Title language:
External funds: competitive funds and Grants-in-Aid for Scientific Research (Kakenhi)
Type Position Title(Japanese) Title(English) Period
若手研究(B) Representative 新規理論手法によるミクロ相分離イオン液体の溶媒和効果の定量的解析 (平成27年度分) 2015/04/01-2016/03/31
若手研究(B) Representative 新規理論手法によるミクロ相分離イオン液体の溶媒和効果の定量的解析 (平成28年度分) 2016/04/01-2017/03/31
若手研究(B) Representative 新規理論手法によるミクロ相分離イオン液体の溶媒和効果の定量的解析 (平成29年度分) 2017/04/01-2018/03/31
若手研究 Representative 電極‐電解液界面における電子移動を解析するための新規理論手法開発 (平成30年度分) 2018/04/01-2019/03/31
若手研究 Representative 電極‐電解液界面における電子移動を解析するための新規理論手法開発 (2019年度分) 2019/04/01-2020/03/31
若手研究 Representative 電極‐電解液界面における電子移動を解析するための新規理論手法開発 (2020年度分) 2020/04/01-2021/03/31
Teaching subject(s)
Name(Japanese) Name(English) Term Department Period
化学数学II Mathematical Method in Chemistry II 前期 工学部 2015/04-2016/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2016/04-2017/03
基礎化学実験 Fundamental Chemical Experiments 前期 全学共通科目 2016/04-2017/03
分子工学特論第六 Molecular Engineering, Adv. VI 前期 工学研究科 2017/04-2018/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2017/04-2018/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2018/04-2019/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2019/04-2020/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2020/04-2021/03
化学数学II Mathematical Method in Chemistry II 前期 工学部 2021/04-2022/03