Nakano Hiroshi 中農浩史

Researcher Number	20711790
Other IDs
Affiliation (Current)	2026: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員
Affiliation (based on the past Project Information) *help	2022 – 2024: 国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 2016 – 2020: 京都大学, 工学研究科, 助教 2015: 京都大学, 工学(系)研究科(研究院), 助教
Review Section/Research Field	Principal Investigator Basic Section 32020:Functional solid state chemistry-related / Basic Section 32010:Fundamental physical chemistry-related / Physical chemistry
Keywords	Principal Investigator QM/MM / 自由エネルギー / 分子動力学シミュレーション / 電極電解液界面 / 界面 / 電気化学 / 電子移動 / エントロピー / 化学反応 / 理論計算 … More / 固液界面 / シミュレーション / 誘電率 / 量子化学 / 化学ポテンシャル平衡法 / 電子カップリング / 化学ポテンシャル / 電子状態計算 / 電子状態 / 分子動力学 / 電解液 / 電極 / 分子動力学法 / ソルバトクロミズム / 吸収スペクトル / スペクトル / 溶媒効果 / イオン液体 Less

First-Principles-Based Thermodynamic Analysis of Electrochemical Interface ReactionsPrincipal Investigator
- Principal Investigator
  
  Nakano Hiroshi
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32020:Functional solid state chemistry-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Development of theoretical methods to investigate an electron transfer at electrode-electrolyte interfacePrincipal Investigator
- Principal Investigator
  
  Nakano Hiroshi
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Kyoto University
Quantitative analysis of the solvation effects of microphase-separated ionic liquids with novel theoretical methodsPrincipal Investigator
- Principal Investigator
  
  Nakano Hiroshi
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  Kyoto University

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015

All Journal Article Presentation

[Journal Article] Computational dielectric spectroscopy on solid-solution interface by time-dependent voltage applied molecular dynamics simulation2024
- Author(s)
  Tanaka Yuichi、Sato Hirofumi、Nakano Hiroshi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 160 Issue: 14
- DOI
  10.1063/5.0189977
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05049
[Journal Article] Iterative constant voltage molecular dynamics simulation on electrochemical interface at desired electrode potential2023
- Author(s)
  Takahashi Ken、Sato Hirofumi、Nakano Hiroshi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 826 Pages: 140668-140668
- DOI
  10.1016/j.cplett.2023.140668
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05049
[Journal Article] Unified polarizable electrode models for open and closed circuits: Revisiting the effects of electrode polarization and different circuit conditions on electrode-electrolyte interfaces2022
- Author(s)
  Takahashi Ken、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 1 Pages: 014111-014111
- DOI
  10.1063/5.0093095
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05049, KAKENHI-PROJECT-22KJ1854
[Journal Article] Accelerated constant-voltage quantum mechanical/molecular mechanical method for molecular systems at electrochemical interfaces2022
- Author(s)
  Takahashi Ken、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 157 Issue: 23 Pages: 234107-234107
- DOI
  10.1063/5.0128358
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K05049, KAKENHI-PROJECT-22KJ1854
[Journal Article] Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding2021
- Author(s)
  Oshiki Jun、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 154 Issue: 14 Pages: 144107-144107
- DOI
  10.1063/5.0047992
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor-bridge-acceptor systems2020
- Author(s)
  Nakano Hiroshi、Higashi Masahiro、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 152 Issue: 22 Pages: 224103-224103
- DOI
  10.1063/5.0010943
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] A polarizable molecular dynamics method for electrode-electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons2020
- Author(s)
  Takahashi Ken、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 5 Pages: 054126-054126
- DOI
  10.1063/5.0020619
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface2019
- Author(s)
  NAKANOA Hiroshi、SATO Hirofumi
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 18 Issue: 1 Pages: 9-17
- DOI
  10.2477/jccj.2018-0040
- NAID
  130007603026
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations2019
- Author(s)
  Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 151 Issue: 16 Pages: 164123-164123
- DOI
  10.1063/1.5123365
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction2019
- Author(s)
  Kosugi Kento、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  Journal of Chemical Theory and Computation
  
  Volume: 15 Issue: 9 Pages: 4965-4973
- DOI
  10.1021/acs.jctc.9b00355
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K14179
[Journal Article] A theoretical study on the optical absorption of green fluorescent protein chromophore in solutions2017
- Author(s)
  Ken Kajita, Hiroshi Nakano, and Hirofumi Sato
- Journal Title
  
  Molecular Simulation
  
  Volume: 印刷中
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K17809
[Journal Article] Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models2017
- Author(s)
  Matsumi Yusuke, Nakano Hiroshi, Sato Hirofumi
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 681 Pages: 80-85
- DOI
  10.1016/j.cplett.2017.05.032
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K17809
[Journal Article] Photo Absorption of p-Coumaric Acid in Aqueous Solution: RISM-SCF-SEDD Theory Approach2017
- Author(s)
  Kenji Hirano, Hiroshi Nakano, Yoshihide Nakao, Hirofumi Sato, and Shigeyoshi Sakaki
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 印刷中 Issue: 18 Pages: 1567-1573
- DOI
  10.1002/jcc.24784
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-25410011, KAKENHI-PROJECT-15K17809
[Journal Article] A theoretical study on the optical absorption of green fluorescent protein chromophore in solutions2017
- Author(s)
  Kajita Ken、Nakano Hiroshi、Sato Hirofumi
- Journal Title
  
  Mol. Simulation
  
  Volume: 43 Issue: 13-16 Pages: 997-1003
- DOI
  10.1080/08927022.2017.1315769
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H03009, KAKENHI-PROJECT-15K17809
[Journal Article] Introducing the mean field approximation to CDFT/MMpol method: statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases2017
- Author(s)
  Hiroshi Nakano and Hirofumi Sato
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 146 Issue: 15 Pages: 154101-154101
- DOI
  10.1063/1.4979895
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K17809
[Journal Article] An Ab Initio QM/MM-based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including Nonequilibrium Solvation Effect2016
- Author(s)
  Hiroshi Nakano, Hirofumi Sato
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 120 Issue: 8 Pages: 1670-1678
- DOI
  10.1021/acs.jpcb.5b08455
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] 電子分極可能 MD による電極電解液界面電子移動の理論的研究2020
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  電気化学会第87回大会・Web討論会
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 電極電解液間電子移動における電子分極と界面の影響に関する理論的研究2020
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  第17回福井謙一記念研究センターシンポジウム
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 電子分極可能MD法による電極電解液界面電子移動の自由エネルギー計算2020
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  凝縮系の理論化学
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 電子分極可能MDシミュレーションによる電極電解液界面電子移動における非線形性再考2019
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  第13回分子科学討論会
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 電極-電解液界面電子移動に対する電解液の電子分極効果2019
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  第22回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 電極界面電子移動反応における電子分極効果と電解液の線形応答性2019
- Author(s)
  高橋健、中農浩史、佐藤啓文
- Organizer
  第42回溶液化学シンポジウム2019
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 金属電極‐電解液界面電子移動に対する QM/MM 自由エネルギー計算2018
- Author(s)
  中農浩史
- Organizer
  第２１回理論化学討論会
- Data Source
  KAKENHI-PROJECT-18K14179
[Presentation] 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2017
- Author(s)
  中農浩史
- Organizer
  若手が描く分子理論の未来（東北大学）
- Invited
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] QM/MM free energy calculation for electron transfer reactions2017
- Author(s)
  Hiroshi Nakano
- Organizer
  Free energy calculations: Three decades of adventure in chemistry and biophysics (Telluride, Colorado)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] イオン液体が示すソルバトクロミズムを定量的に調べるための理論計算手法の開発2016
- Author(s)
  中農浩史、佐藤啓文
- Organizer
  第7回イオン液体討論会
- Place of Presentation
  金沢市文化ホール
- Year and Date
  2016-10-24
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] Ab Initio QM/MM calculations of the solvatochromic shifts of a chromophore in ionic liquids2016
- Author(s)
  Hiroshi Nakano, Takuya Nagaoka, Hirofumi Sato
- Organizer
  56th Sanibel Symposium
- Place of Presentation
  St. Simons Island, Georgia (USA)
- Year and Date
  2016-02-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] ミクロ相分離イオン液体が示すソルバトクロミズムの理論的評価2015
- Author(s)
  長岡卓弥、中農浩史、佐藤啓文
- Organizer
  第６回イオン液体討論会
- Place of Presentation
  同志社大学（京田辺市、京都府、今出川キャンパス、寒梅館）
- Year and Date
  2015-10-26
- Data Source
  KAKENHI-PROJECT-15K17809
[Presentation] 平均場CDFT/MM法の開発と電子移動反応への応用2015
- Author(s)
  中農浩史、佐藤啓文
- Organizer
  第18回理論化学討論会
- Place of Presentation
  大阪大学（豊中市、大阪府、豊中キャンパス、大阪大学会館）
- Year and Date
  2015-05-20
- Data Source
  KAKENHI-PROJECT-15K17809

1. 佐藤啓文

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Nakano Hiroshi 中農 浩史

Research Projects

Research Products

Co-Researchers

First-Principles-Based Thermodynamic Analysis of Electrochemical Interface ReactionsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of theoretical methods to investigate an electron transfer at electrode-electrolyte interfacePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Quantitative analysis of the solvation effects of microphase-separated ionic liquids with novel theoretical methodsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Computational dielectric spectroscopy on solid-solution interface by time-dependent voltage applied molecular dynamics simulation2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Iterative constant voltage molecular dynamics simulation on electrochemical interface at desired electrode potential2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Unified polarizable electrode models for open and closed circuits: Revisiting the effects of electrode polarization and different circuit conditions on electrode-electrolyte interfaces2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Accelerated constant-voltage quantum mechanical/molecular mechanical method for molecular systems at electrochemical interfaces2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Controlling potential difference between electrodes based on self-consistent-charge density functional tight binding2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor-bridge-acceptor systems2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A polarizable molecular dynamics method for electrode-electrolyte interfacial electron transfer under the constant chemical-potential-difference condition on the electrode electrons2020

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface2019

Author(s)

Journal Title

DOI

NAID

ISSN

Language

Data Source

[Journal Article] A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction2019

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A theoretical study on the optical absorption of green fluorescent protein chromophore in solutions2017

Author(s)

Journal Title

Data Source

[Journal Article] Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models2017

Nakano Hiroshi 中農浩史

[Presentation] 電子分極可能MDシミュレーションによる電極電解液界面電子移動における非線形性再考2019