Watanabe Hiroshi 渡邉宙志

Researcher Number	20767199
Other IDs	https://orcid.org/0000-0003-4379-8633
Affiliation (Current)	2025: 九州大学, 理学研究院, 准教授
Affiliation (based on the past Project Information) *help	2023: 九州大学, 理学研究院, 准教授 2020 – 2022: 慶應義塾大学, 理工学研究科(矢上), 特任講師 2018: 慶應義塾大学, 理工学研究科(矢上), 特任講師 2017: 東京大学, 先端科学技術研究センター, 助教
Review Section/Research Field	Principal Investigator Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related / Complex systems / Basic Section 13040:Biophysics, chemical physics and soft matter physics-related / Biophysics
Keywords	Principal Investigator 量子化学計算 / 分子シミュレーション / 分子動力学計算 / 量子コンピューティング / 溶媒和効果 / QM/MM法 / 凝縮系 / 水素イオン / 変分量子アルゴリズム / 最適化アルゴリズム … More / 変分量子固有値法 / 変分量子回路 / 量子アルゴリズム / 金属イオン / 溶媒和ダイナミクス / 金属タンパク質 / 自由エネルギー / 分子動力学 / プロトン輸送 / 溶媒和 / 溶液化学 / 分子動力学シミュレーション / 生物物理 / プロトン移動 / 分子動力学法 / 物理化学 / ダイナミクス / 量子化学 Less

Developments of variational quantum algorithms based on circuit structure optimizationPrincipal Investigator
- Principal Investigator
  
  渡邉宙志
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
- Research Institution
  Kyushu University
Developments and Applications of free energy calculations with quantum chemical effects of solvationPrincipal Investigator
- Principal Investigator
  
  Watanabe Hiroshi
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
- Research Institution
  Kyushu University
  Keio University
Dynamics simulations of metal ions for solvation and coordination with proteinsPrincipal Investigator
- Principal Investigator
  
  渡邉宙志
- Project Period (FY)
  2020 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Complex systems
- Research Institution
  Keio University
Development of molecular dynamics simulation for hydronium ion in solution and the application to biomoleculesPrincipal Investigator
- Principal Investigator
  
  Watanabe Hiroshi
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Biophysics
- Research Institution
  Keio University
  The University of Tokyo

All 2024 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation

[Journal Article] Sequential optimal selections of single-qubit gates in parameterized quantum circuits2024
- Author(s)
  Kaito Wada, Rudy Raymond, Yuki Sato, Hiroshi C Watanabe
- Journal Title
  
  Quantum Science and Technology
  
  Volume: －
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K03266
[Journal Article] Simulating time evolution with fully optimized single-qubit gates on parametrized quantum circuits2022
- Author(s)
  Wada Kaito、Raymond Rudy、Ohnishi Yu-ya、Kaminishi Eriko、Sugawara Michihiko、Yamamoto Naoki、Watanabe Hiroshi C.
- Journal Title
  
  Physical Review A
  
  Volume: 105 Issue: 6 Pages: 062421-062421
- DOI
  10.1103/physreva.105.062421
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K03885, KAKENHI-PROJECT-20K14388
[Journal Article] Proton transfer in bulk water using the full adaptive QM/MM method: integration of solute- and solvent-adaptive approaches2021
- Author(s)
  Hiroshi C. Watanabe, Masayuki Yamada, Yohichi Suzuki
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 14 Pages: 8344-8360
- DOI
  10.1039/d1cp00116g
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-20H05518, KAKENHI-PROJECT-20K03885
[Journal Article] Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters2021
- Author(s)
  Qi Gao, Gavin O Jones, Mario Motta, Michihiko Sugawara, Hiroshi C Watanabe, Takao Kobayashi, Eriko Watanabe, Yu-ya Ohnishi, Hajime Nakamura, Naoki Yamamoto
- Journal Title
  
  Nature material science
  
  Volume: -
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Journal Article] Dynamics Simulation of Solution System Based on Quantum/Classical Hybrid Model―Toward Incorporation of Quantum Chemical Effect of Solvation2021
- Author(s)
  渡邉宙志
- Journal Title
  
  Butsuri
  
  Volume: 76 Issue: 2 Pages: 81-86
- DOI
  10.11316/butsuri.76.2_81
- NAID
  130007981336
- ISSN
  0029-0181, 2423-8872
- Year and Date
  2021-02-05
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-20K03885, KAKENHI-PUBLICLY-20H05518
[Journal Article] Label‐Free Phase Change Detection of Lipid Bilayers Using Nanoscale Diamond Magnetometry2021
- Author(s)
  Ishiwata Hitoshi、Watanabe Hiroshi C.、Hanashima Shinya、Iwasaki Takayuki、Hatano Mutsuko
- Journal Title
  
  Advanced Quantum Technologies
  
  Volume: 4 Issue: 4 Pages: 2000106-2000106
- DOI
  10.1002/qute.202000106
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K03885, KAKENHI-PUBLICLY-20H05518
[Journal Article] Post-Hartree-Fock method in Quantum Chemistry for Quantum Computer2021
- Author(s)
  Yutaka Shikano, Hiroshi C. Watanabe, Ken M. Nakanishi, Yu-ya Ohnishi
- Journal Title
  
  The European Physical Journal
  
  Volume: Special Topics Issue: 4 Pages: 1037-1051
- DOI
  10.1140/epjs/s11734-021-00087-z
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K03885, KAKENHI-PUBLICLY-19H05156, KAKENHI-PUBLICLY-20H05518, KAKENHI-PROJECT-19K14636
[Journal Article] Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters2021
- Author(s)
  Qi Gao, Gavin O. Jones, Mario Motta, Michihiko Sugawara, Hiroshi C. Watanabe, Takao Kobayashi, Eriko Watanabe, Yu-ya Ohnishi, Hajime Nakamura, Naoki Yamamoto
- Journal Title
  
  npj Computational Material
  
  Volume: －
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K03885
[Journal Article] Optimizing Parameterized Quantum Circuits with Free-Axis Selection2021
- Author(s)
  Hiroshi C Watanabe, Rudy Raymond, Yu-Ya Ohnishi, Eriko Kaminishi, Michihiko Sugawara
- Journal Title
  
  2021 IEEE International Conference on Quantum Computing and Engineering
  
  Volume: 2021 Pages: 100-111
- DOI
  10.1109/qce52317.2021.00026
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-20H05518, KAKENHI-PROJECT-20K03885
[Journal Article] Incorporation of quantum chemical effects of solvent into molecular dynamics simulation2018
- Author(s)
  Hiroshi C. Watanabe, Qiang Cui
- Journal Title
  
  ChemRxiv
  
  Volume: -
- DOI
  10.26434/chemrxiv.7744103.v2
- Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Journal Article] Improvement of Performance, Stability and Continuity by Modified Size-Consistent Multipartitioning Quantum Mechanical/Molecular Mechanical Method2018
- Author(s)
  Hiroshi C. Watanabe
- Journal Title
  
  molecules
  
  Volume: 23 Issue: 8 Pages: 1882-1882
- DOI
  10.3390/molecules23081882
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K15101
[Journal Article] Mutational analysis of the conserved carboxylates of anion channelrhodopsin-2 (ACR2) expressed in <i>Escherichia coli</i> and their roles in anion transport2018
- Author(s)
  Kojima Keiichi、C. Watanabe Hiroshi、Doi Satoko、Miyoshi Natsuki、Kato Misaki、Ishikita Hiroshi、Sudo Yuki
- Journal Title
  
  Biophysics and Physicobiology
  
  Volume: 15 Issue: 0 Pages: 179-188
- DOI
  10.2142/biophysico.15.0_179
- NAID
  130007472538
- ISSN
  2189-4779
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-17H05726, KAKENHI-PROJECT-18H02411, KAKENHI-PROJECT-17K15101, KAKENHI-PUBLICLY-18H05155
[Journal Article] Origins of water molecules in the photosystem II crystal structure2017
- Author(s)
  Naoki Sakashita, Hiroshi C. Watanabe, Takuya Ikeda, Keisuke Saito, Hiroshi Ishikita
- Journal Title
  
  Biochemistry
  
  Volume: 56 Issue: 24 Pages: 3049-3057
- DOI
  10.1021/acs.biochem.7b00220
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17K15101, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PLANNED-16H06560, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-26800224
[Journal Article] Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method2017
- Author(s)
  Hiroshi C. Watanabe, Maximilian Kubillus, Tomas Kubar, Robert Stach, Boris Mizaikoff, Hiroshi Ishikita
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 19 Issue: 27 Pages: 17985-17997
- DOI
  10.1039/c7cp01708a
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101, KAKENHI-PLANNED-16H06560, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] Structurally conserved channels in cyanobacterial and plant photosystem II2017
- Author(s)
  Naoki Sakashita, Hiroshi C. Watanabe, Takuya Ikeda, and Hiroshi Ishikita*
- Journal Title
  
  Photosynth. Res.
  
  Volume: 印刷中 Issue: 1-3 Pages: 75-85
- DOI
  10.1007/s11120-017-0347-1
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H00864, KAKENHI-PLANNED-16H06560, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-26711008, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-17K15101
[Journal Article] Electron transfer pathways in a multi-heme cytochrome MtrF2017
- Author(s)
  Hiroshi C. Watanabe, Yuki Yamashita, and Hiroshi Ishikita*
- Journal Title
  
  Proc. Natl. Acad. Sci. U. S. A.
  
  Volume: 114 Issue: 11 Pages: 2916-2921
- DOI
  10.1073/pnas.1617615114
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PUBLICLY-15H00864, KAKENHI-PROJECT-26711008, KAKENHI-PROJECT-17K15101, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Journal Article] Reply to Breuer et al.: Molecular dynamics simulations do not provide functionally relevant values of redox potential in MtrF2017
- Author(s)
  Hiroshi C. Watanabe, Yuki Yamashita, Hiroshi Ishikita
- Journal Title
  
  Proceedings of the National Academy of Sciences
  
  Volume: 201717048 Issue: 47 Pages: 201717048-201717048
- DOI
  10.1073/pnas.1717048114
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K15101, KAKENHI-PLANNED-16H06560, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105012
[Presentation] Sequential Quantum Optimizer of Parameterized Quantum Circuits for Generalized Eigenvalue Problems2023
- Author(s)
  佐藤勇気, 渡邉宙志, Raymond Rudy, 近藤瑠歩, 和田凱渡, 遠藤克浩, 菅原道彦, 山本直樹
- Organizer
  第8回量子ソフトウェア研究発表会
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Sequential optimal selections of single-qubit gates in parameterized quantum circuits2023
- Author(s)
  Hiroshi Watanabe
- Organizer
  TACC2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K03266
[Presentation] “Toward incorporation of quantum chemical effect of solvation into molecular dynamics simulations: stable and efficient adaptive QM/MM2023
- Author(s)
  Hiroshi Watanabe
- Organizer
  The 25 th Joint Seminar of the Busan Branch of the Korean Chemical Society (KCS) and the Kyushu Branch of the Chemical Society of Japan (CSJ)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Full optimization of a single-qubit gate on the generalized sequential quantum optimizer2023
- Author(s)
  Kaito Wada, Rudy Raymond, Yuki Sato, Hiroshi Watanabe
- Organizer
  Quantum Information Processing 2023
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Simulating Time Evolution with Fully Optimized Single-Qubit Gates on Parameterized Quantum Circuits2022
- Author(s)
  Kaito Wada, Rudy Raymond, Yu-ya Ohnishi, Eriko Kaminishi, Michihiko Sugawara, Naoki Yamamoto, Hiroshi C. Watanabe
- Organizer
  第5回量子ソフトウェア研究発表会
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 変分量子固有値ソルバー(VQE)のシーケンシャル量子最適化における最適な期待値測定方法について2022
- Author(s)
  遠藤勝弘,渡邉宙志,佐藤勇気,ルディ―レイモンド,山本直樹,村松眞由
- Organizer
  第47回量子情報技術研究会(QIT47)
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 量子と古典のハイブリッドによる分子モデルの拡張2022
- Author(s)
  渡邉宙志
- Organizer
  第42回計算数理工学フォーラム
- Invited
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Proton transfer dynamics simulation using adaptive QM/MM method2021
- Author(s)
  Hiroshi Watanabe
- Organizer
  13th symposium on Discovery, Fusion, Creation of New Knowledge by Multidisciplinary Computational Sciences
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] Proton transfer in bulk water using the full adaptive QM/MM method2021
- Author(s)
  Hiroshi C. Watanabe
- Organizer
  Pacifichem 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Proton transfer in bulk water using the full adaptive QM/MM method2021
- Author(s)
  Hiroshi C. Watanabe
- Organizer
  Pacifichem 2021
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] Optimizing Parameterized Quantum Circuits with Free-Axis Selection2021
- Author(s)
  Hiroshi Watanabe
- Organizer
  2021 IEEE International Conference on Quantum Computing and Engineering
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] QM/MM 法を利用した過酸化水素水溶液における構造ダイナミクスの温度依存性解析2021
- Author(s)
  田島慶太, 渡邉宙志, 山本詠士
- Organizer
  第３５回分子シミュレーション討論会
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 量子コンピュータにおける変分量子固有値法の量子化学計算への応用2021
- Author(s)
  渡邉宙志
- Organizer
  自然科学における階層と全体
- Invited
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] 量子コンピューターにおける変分量子固有値法の量子化学計算への応用2021
- Author(s)
  渡邉宙志
- Organizer
  「自然科学における階層と全体」シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 回転軸選択法による量子回路最適化2021
- Author(s)
  渡邉宙志, Rudy Raymond, 大西裕也, 上西慧理子, 菅原道彦
- Organizer
  日本コンピュータ化学会2021年秋季大会
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] Simulating Time Evolution with Fully Optimized Single-Qubit Gates2021
- Author(s)
  Kaito Wada, Rudy Raymond, Yu-ya Ohnishi, Eriko Kaminishi, Michihiko Sugawara, Naoki Yamamoto, Hiroshi C. Watanabe
- Organizer
  第45回量子情報技術研究会
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Label-free phase change detection of lipid bilayers using nanoscale diamond magnetometry2021
- Author(s)
  Hitoshi Ishiwata, Hiroshi C Watanabe, Shinya Hanashima, Takayuki Iwasaki, Mutsuko Hatano
- Organizer
  The 59th annual meeting of the biophysical society of Japan
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 回転軸選択法による量子回路最適化2021
- Author(s)
  渡邉宙志, Rudy Raymond, 大西裕也, 上西慧理子, 菅原道彦
- Organizer
  日本コンピュータ化学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 回転軸選択法による量子回路最適化2021
- Author(s)
  渡邉宙志, Rudy Raymond, 大西裕也, 上西慧理子, 菅原道彦
- Organizer
  第15回分子科学討論会
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] Proton transfer dynamics simulation using full adaptive QM/MM method2021
- Author(s)
  Hiroshi Watanabe
- Organizer
  13th symposium on Discovery, Fusion, Creation of New Knowledge by Multidisciplinary Computational Sciences
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] Optimizing Parameterized Quantum Circuits with Free-Axis Selection2021
- Author(s)
  Hiroshi C. Watanabe, Rudy Raymond, Yu-ya Ohnishi, Eriko Kaminishi, Michihiko Sugawara
- Organizer
  2021 IEEE International Conference on Quantum Computing and Engineering
- Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] 溶媒の電子状態を取り込んだ分子動力学計算と生体分子への応用2020
- Author(s)
  渡邉宙志
- Organizer
  量子生命科学会第２回大会
- Invited
- Data Source
  KAKENHI-PROJECT-20K03885
[Presentation] 溶媒の電子状態を取り込んだ分子動力学計算と生体分子への応用,2020
- Author(s)
  渡邉宙志
- Organizer
  量子生命科学会第２回大会
- Invited
- Data Source
  KAKENHI-PUBLICLY-20H05518
[Presentation] Incorporation of quantum chemical effects of solvent into molecular dynamics simulation2019
- Author(s)
  Hiroshi Watanabe
- Organizer
  American Chemical Society National Meeting & Expo
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Recent progress and development toward incorporation of quantum chemical effects by size-consistent multipartitioning quantum mechanical/ molecular mechanical method2018
- Author(s)
  Hiroshi Watanabe
- Organizer
  Joint Conference of EMLG/JMLG Meeting and the 41th Symposium on Solution Chemistry of Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Structural modeling and molecular simulations provide insights into the functional mechanism of anion channelrhodpsin-22018
- Author(s)
  Hiroshi Watanabe
- Organizer
  The 56th annual meeting of Biophysical Society of Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] 実用的なアプケーションへ向けたsize-consistent multipartitioning法の改良2018
- Author(s)
  渡邉宙志
- Organizer
  第１２回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Quantum chemical effects on solvation incorporated by size-consistent multipartitioning quantum mechanics/molecular mechanics method2018
- Author(s)
  Hiroshi Watanabe
- Organizer
  International Symposium on Molecular Science - Physical Chemistry/Theoretical Chemistry, Chemoinformatics, Computational Chemistry - Cosponsered by Japan Chemical Society for Molecular Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Electron transfer pathways in a multiheme cytochrome MtrF2017
- Author(s)
  Hiroshi Watanabe
- Organizer
  Extracellular Electron Transfer: Mechanisms and Opportunities
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] 溶媒の量子化学効果を取り込んだ赤外分光計算2017
- Author(s)
  渡邉宙志
- Organizer
  第１１回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Electron transfer pathways in a multiheme cytochrome MtrF2017
- Author(s)
  Hiroshi Watanabe
- Organizer
  第１７回日本蛋白質科学会
- Invited
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] 溶媒の量子効果を取り込んだ陽イオン溶媒和構造とダイナミクス2017
- Author(s)
  渡邉宙志
- Organizer
  第２０回理論化学討論会
- Data Source
  KAKENHI-PROJECT-17K15101
[Presentation] Cation solvation with quantum chemical effect incorporated by size-consistent multi-partitioning quantum mechanics/moelcular mechanics method2017
- Author(s)
  Hiroshi Watanabe
- Organizer
  The 55th Annual Meeting of The Biophysical Society of Japan
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17K15101

1. Yamada Masayuki

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. ISHIKITA Hiroshi

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results

Watanabe Hiroshi 渡邉 宙志

Research Projects

Research Products

Co-Researchers

Developments of variational quantum algorithms based on circuit structure optimizationPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Developments and Applications of free energy calculations with quantum chemical effects of solvationPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Dynamics simulations of metal ions for solvation and coordination with proteinsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of molecular dynamics simulation for hydronium ion in solution and the application to biomoleculesPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Sequential optimal selections of single-qubit gates in parameterized quantum circuits2024

Author(s)

Journal Title

Data Source

[Journal Article] Simulating time evolution with fully optimized single-qubit gates on parametrized quantum circuits2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Proton transfer in bulk water using the full adaptive QM/MM method: integration of solute- and solvent-adaptive approaches2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters2021

Author(s)

Journal Title

Data Source

[Journal Article] Dynamics Simulation of Solution System Based on Quantum/Classical Hybrid Model―Toward Incorporation of Quantum Chemical Effect of Solvation2021

Author(s)

Journal Title

DOI

NAID

ISSN

Year and Date

Language

Data Source

[Journal Article] Label‐Free Phase Change Detection of Lipid Bilayers Using Nanoscale Diamond Magnetometry2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Post-Hartree-Fock method in Quantum Chemistry for Quantum Computer2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Applications of Quantum Computing for Investigations of Electronic Transitions in Phenylsulfonyl-carbazole TADF Emitters2021

Author(s)

Journal Title

Data Source

[Journal Article] Optimizing Parameterized Quantum Circuits with Free-Axis Selection2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Incorporation of quantum chemical effects of solvent into molecular dynamics simulation2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Improvement of Performance, Stability and Continuity by Modified Size-Consistent Multipartitioning Quantum Mechanical/Molecular Mechanical Method2018

Watanabe Hiroshi 渡邉宙志