Kuwahata Kazuaki 桑畑和明

… Alternative Names

桑畑和明クワハタカズアキ

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Researcher Number	30843362
Other IDs
Affiliation (Current)	2026: 東京科学大学, 物質理工学院, 特任准教授 2026: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 客員研究員
Affiliation (based on the past Project Information) *help	2026: 東京科学大学, 物質理工学院, 特任准教授 2024: 東京科学大学, 物質・情報卓越教育コース, 特任准教授 2023: 横浜市立大学, 生命ナノシステム科学研究科(八景キャンパス), 客員研究員
Review Section/Research Field	Principal Investigator Basic Section 36020:Energy-related chemistry
Keywords	Principal Investigator 機械学習 / 量子効果 / 金属有機構造体 / 水素貯蔵材料 / 合金 / 第一原理計算 / 経路積分 / 原子核量子効果 / 水素吸蔵

経路積分法と汎用機械学習ポテンシャルの融合で拓くハイエントロピー合金創成Principal Investigator
- Principal Investigator
  
  桑畑和明
- Project Period (FY)
  2026 – 2028
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 36020:Energy-related chemistry
- Research Institution
  Institute of Science Tokyo
Development of a new program combining path integral method and machine learning for the development of hydrogen storage materialsPrincipal Investigator
- Principal Investigator
  
  桑畑和明
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 36020:Energy-related chemistry
- Research Institution
  Institute of Science Tokyo
  Yokohama City University

All 2024 2023

All Journal Article Presentation

[Journal Article] A theoretical study on muoniated N-heterocyclic carbenes using path integral molecular dynamics2024
- Author(s)
  Orikono Satoshi、Kuwahata Kazuaki、Shimazaki Tomomi、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 161 Issue: 18 Pages: 184305-184305
- DOI
  10.1063/5.0234050
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827
[Journal Article] Formation and structure of MuOH in ice studied by muon spin rotation2024
- Author(s)
  Pant Amba Datt、Koda Akihiro、Geil Burkhard、Ishida Katsuhiko、Adhikari Rajendra、Kuwahata Kazuaki、Tachikawa Masanori、Shimomura Koichiro
- Journal Title
  
  Physical Review B
  
  Volume: 110 Issue: 10 Pages: 104104-104104
- DOI
  10.1103/physrevb.110.104104
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827
[Journal Article] Nuclear quantum effects in phase transition between Ice VII and Ice X2024
- Author(s)
  Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 160 Issue: 21 Pages: 214501-214501
- DOI
  10.1063/5.0205529
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827
[Journal Article] Dependence of Substituents on UV-vis Spectra and Solvent Effect of Anthocyanins by Quantum Chemical Approach2024
- Author(s)
  KUWAHATA Kazuaki、KAWASHIMA Yukio、FUKUSHIMA Atsushi、TACHIKAWA Masanori、KUSANO Miyako
- Journal Title
  
  Journal of Computer Chemistry, Japan -International Edition
  
  Volume: 10 Issue: 0 Pages: n/a
- DOI
  10.2477/jccjie.2023-0045
- ISSN
  2189-048X
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827
[Journal Article] Impact of Underlying Insulators on the Crystallinity and Antisite Defect Formation in PVD-MoS2 Films2024
- Author(s)
  Matsunaga Naoki、Imai Shinya、Shirokura Takanori、Mochizuki Yasuhide、Kuwahata Kazuaki、Tsutsui Kazuo、Kakushima Kuniyuki、Wakabayashi Hitoshi
- Journal Title
  
  IEEE Journal of the Electron Devices Society
  
  Volume: 14 Pages: 1-1
- DOI
  10.1109/jeds.2024.3472062
- Data Source
  KAKENHI-PROJECT-23K13827
[Journal Article] Nuclear quantum effects on the intramolecular hydrogen bonds in biuret and biguanide2024
- Author(s)
  Nishikawa Kotomi、Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori、Udagawa Taro
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 26 Issue: 37 Pages: 24364-24369
- DOI
  10.1039/d4cp02047b
- Peer Reviewed
- Data Source
  KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827
[Journal Article] Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study2024
- Author(s)
  Udagawa Taro、Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  The Journal of Physical Chemistry A
  
  Volume: 128 Issue: 11 Pages: 2103-2110
- DOI
  10.1021/acs.jpca.4c00239
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462, KAKENHI-PROJECT-23K17905
[Journal Article] Muon Spin Rotation (μSR) for Characterizing Radical Addition to C=S in Xanthene-9-thione and Thioxanthene-9-thione2023
- Author(s)
  Ito Shigekazu、Akama Hikaru、Kojima Kenji M、McKenzie Iain、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 96 Issue: 5 Pages: 461-464
- DOI
  10.1246/bcsj.20230081
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K19023, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462
[Journal Article] A path integral molecular dynamics study on the muoniated xanthene-thione molecule2023
- Author(s)
  Kuwahata Kazuaki、Ito Shigekazu、Tachikawa Masanori
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 159 Issue: 10 Pages: 104301-104301
- DOI
  10.1063/5.0159207
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K19023, KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462
[Journal Article] Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin2023
- Author(s)
  Udagawa Taro、Yabushita Hinata、Tanaka Hikaru、Kuwahata Kazuaki、Tachikawa Masanori
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 23 Pages: 15798-15806
- DOI
  10.1039/d3cp01821k
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K17905, KAKENHI-PROJECT-23K13827, KAKENHI-PROJECT-21K04991, KAKENHI-PROJECT-22KJ2564, KAKENHI-PUBLICLY-23H03993, KAKENHI-PROJECT-23H05462
[Presentation] 高圧氷相転移に対する量子効果の影響2024
- Author(s)
  桑畑和明、立川仁典
- Organizer
  日本コンピュータ化学会 2024年春季年会
- Data Source
  KAKENHI-PROJECT-23K13827
[Presentation] Nuclear quantum effects on phase transitions of high-pressure ice2024
- Author(s)
  Kazuaki Kuwahata and Masanori Tachikawa
- Organizer
  39th Symposium on Chemical Kinetics and Dynamics
- Data Source
  KAKENHI-PROJECT-23K13827
[Presentation] 経路積分分子動力学法を用いた高圧氷の相転移における量子効果の理論研究2024
- Author(s)
  桑畑和明、立川仁典
- Organizer
  第26回理論化学討論会
- Data Source
  KAKENHI-PROJECT-23K13827
[Presentation] Nuclear quantum effect in the phase transition from Ice VII to ice X2023
- Author(s)
  Kazuaki Kuwahata and Masanori Tachikawa
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry
- Data Source
  KAKENHI-PROJECT-23K13827
[Presentation] Nuclear Quantum Effect in the Phase Transition between Ice VII and Ice X2023
- Author(s)
  Kazuaki Kuwahata and Masanori Tachikawa
- Organizer
  Workshop on interstellar matter 2023
- Data Source
  KAKENHI-PROJECT-23K13827
[Presentation] 経路積分分子動力学法を用いたice VIIからice Xへの相転移2023
- Author(s)
  桑畑和明、立川仁典
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K13827

1. ITO Shigekazu

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
2. 立川仁典

# of Collaborated Projects: 0 results

# of Collaborated Products: 5 results

Kuwahata Kazuaki 桑畑 和明

桑畑 和明 クワハタ カズアキ

Research Projects

Research Products

Co-Researchers

経路積分法と汎用機械学習ポテンシャルの融合で拓くハイエントロピー合金創成Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of a new program combining path integral method and machine learning for the development of hydrogen storage materialsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] A theoretical study on muoniated N-heterocyclic carbenes using path integral molecular dynamics2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Formation and structure of MuOH in ice studied by muon spin rotation2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Nuclear quantum effects in phase transition between Ice VII and Ice X2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Dependence of Substituents on UV-vis Spectra and Solvent Effect of Anthocyanins by Quantum Chemical Approach2024

Author(s)

Journal Title

DOI

ISSN

Language

Data Source

[Journal Article] Impact of Underlying Insulators on the Crystallinity and Antisite Defect Formation in PVD-MoS2 Films2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Nuclear quantum effects on the intramolecular hydrogen bonds in biuret and biguanide2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Muon Spin Rotation (μSR) for Characterizing Radical Addition to C=S in Xanthene-9-thione and Thioxanthene-9-thione2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] A path integral molecular dynamics study on the muoniated xanthene-thione molecule2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin2023

Author(s)

Journal Title

DOI

Data Source

[Presentation] 高圧氷相転移に対する量子効果の影響2024

Author(s)

Organizer

Data Source

[Presentation] Nuclear quantum effects on phase transitions of high-pressure ice2024

Author(s)

Organizer

Data Source

[Presentation] 経路積分分子動力学法を用いた高圧氷の相転移における量子効果の理論研究2024

Author(s)

Organizer

Kuwahata Kazuaki 桑畑和明

桑畑和明クワハタカズアキ