Murakami Tatsuhiro 村上龍大

Researcher Number	20756960
Other IDs	https://orcid.org/0000-0001-8904-8673
Affiliation (Current)	2026: 東京都立大学, 都市環境科学研究科, 助教
Affiliation (based on the past Project Information) *help	2025: 東京都立大学, 都市環境科学研究科, 助教 2024: 埼玉大学, 理工学研究科, その他 2023: 埼玉大学, 理工学研究科, 特任助教
Review Section/Research Field	Principal Investigator Basic Section 32010:Fundamental physical chemistry-related Except Principal Investigator Basic Section 32010:Fundamental physical chemistry-related / Basic Section 80040:Quantum beam science-related
Keywords	Principal Investigator 量子化学 / 機械学習 / データ科学 / 分岐反応 / 核量子効果 / 反応動力学 Except Principal Investigator 溶媒効果 / ポテンシャルエネルギー曲面 / 反応ダイナミクス / ポスト遷移状態分岐 / ヘリウム液滴

極低温ヘリウム液滴ビームをナノ反応空間とした水素結合系化学反応の探索
- Principal Investigator
  
  久間晋
- Project Period (FY)
  2025 – 2028
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 80040:Quantum beam science-related
- Research Institution
  Rikkyo University
Theoretical investigation of solvent effects in post transition-state bifurcation reaction
- Principal Investigator
  
  高柳敏幸
- Project Period (FY)
  2025 – 2028
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Saitama University
The clarification of reaction path bifurcation mechanisms affected by nuclear quantum effectsPrincipal Investigator
- Principal Investigator
  
  村上龍大
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32010:Fundamental physical chemistry-related
- Research Institution
  Saitama University

All 2025 2024 2023

All Journal Article Presentation

[Journal Article] Computational study on the bifurcation mechanism in the H2CO- + CH3Cl →CH3CH2O + Cl-/H2CO + CH3 + Cl- reaction: The importance of intramolecular vibrational redistributions2024
- Author(s)
  Murakami Tatsuhiro、Matsumoto Naoki、Takayanagi Toshiyuki
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1240 Pages: 114835-114835
- DOI
  10.1016/j.comptc.2024.114835
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675
[Journal Article] Temperature effects on the branching dynamics in the model ambimodal (6+4)/(4+2) intramolecular cycloaddition reaction2024
- Author(s)
  Murakami Tatsuhiro、Hayashi Daiki、Kikuma Yuya、Yamaki Keita、Takayanagi Toshiyuki
- Journal Title
  
  Journal of Computational Chemistry
  
  Volume: 45 Issue: 32 Pages: 2778-2785
- DOI
  10.1002/jcc.27484
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675
[Journal Article] Molecular dynamics simulation study of post‐transition state bifurcation: A case study on the ambimodal transition state of dipolar/Diels-Alder cycloaddition2024
- Author(s)
  Murakami Tatsuhiro、Kikuma Yuya、Hayashi Daiki、Ibuki Shunichi、Nakagawa Shoto、Ueno Hinami、Takayanagi Toshiyuki
- Journal Title
  
  Journal of Physical Organic Chemistry
  
  Volume: - Issue: 8
- DOI
  10.1002/poc.4611
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-23K04675, KAKENHI-PROJECT-22K05031
[Journal Article] Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state2023
- Author(s)
  Murakami Tatsuhiro、Kikuma Yuya、Ibuki Shunichi、Matsumoto Naoki、Ogino Kanon、Hashimoto Yu、Takayanagi Toshiyuki
- Journal Title
  
  Journal of Physical Organic Chemistry
  
  Volume: 36 Issue: 11 Pages: 1-15
- DOI
  10.1002/poc.4561
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675, KAKENHI-PLANNED-20H05847
[Journal Article] Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels?Alder cycloaddition between cyclobutadiene and butadiene2023
- Author(s)
  Murakami Tatsuhiro、Ibuki Shunichi、Takayanagi Toshiyuki
- Journal Title
  
  Computational and Theoretical Chemistry
  
  Volume: 1227 Pages: 114239-114239
- DOI
  10.1016/j.comptc.2023.114239
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675, KAKENHI-PLANNED-20H05847
[Journal Article] Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H+ → CO + H3O+/HCO+ + H2O dissociation: application of machine-learning techniques2023
- Author(s)
 Murakami Tatsuhiro、Ibuki Shunichi、Hashimoto Yu、Kikuma Yuya、Takayanagi Toshiyuki
- Journal Title
 
 Physical Chemistry Chemical Physics
 
 Volume: 25 Issue: 20 Pages: 14016-14027
- DOI
 10.1039/d3cp00252g
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675, KAKENHI-PLANNED-20H05847
[Presentation] リングポリマー分子動力学シミュレーションによる反応経路分岐メカニズムの解明2025
- Author(s)
  村上龍大
- Organizer
  凝縮系の理論化学2025
- Invited
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 分子動力学法及び機械学習解析を用いたH2CO－ + CH3Cl分岐反応機構の解明2024
- Author(s)
  村上龍大，松本直樹，高柳敏幸
- Organizer
  化学反応経路探索のニューフロンティア2024
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 分子内(6+4)/(4+2)環化付加分岐反応における分岐ダイナミクスの温度依存性2024
- Author(s)
  林大希，村上龍大，菊間悠矢，八巻敬太，高柳敏幸
- Organizer
  第18回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] リングポリマー分子動力学計算と機械学習解析による反応経路分岐機構の解明2024
- Author(s)
  村上龍大
- Organizer
  IQCE量子化学探索講演会2024
- Invited
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 分子動力学法を用いたPost-Transition State Bifurcation (PTSB)現象の理論解析2023
- Author(s)
  松本直樹，村上龍大，菊間悠矢，伊吹駿一，高柳敏幸
- Organizer
  第25回理論化学会
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] Ring-polymer molecular dynamics simulations and machine-learning assisted study of the reaction bifurcation mechanism: Application to the Diels-Alder intramolecular cycloaddition2023
- Author(s)
  村上龍大，伊吹駿一，高柳敏幸
- Organizer
  12th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] Machine-learning-assisted study of the dissociation mechanisms of protonated formic acid2023
- Author(s)
  伊吹駿一，村上龍大，橋本ゆう，菊間悠矢，高柳敏幸
- Organizer
  38th Symposium on Chemical Kinetics and Dynamics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 分子動力学法と機械学習を用いた分子内[6+4]/[4+2]-環化付加分岐反応における生成比の温度依存性2023
- Author(s)
  林大希，村上龍大，伊吹駿一，高柳敏幸
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 機械学習解析を活用した分子内Diels-Alder-環化付加反応の分岐反応動力学2023
- Author(s)
  伊吹駿一，村上龍大，高柳敏幸
- Organizer
  第17回分子科学討論会
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] Machine-learning analysis and molecular dynamics for the post-transition-state bifurcation systems2023
- Author(s)
  村上龍大，伊吹駿一，高柳敏幸
- Organizer
  The 5th conference of Theory and Applications of Computational Chemistry (TACC2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] 機械学習を用いた分岐反応の解析2023
- Author(s)
  菊間悠矢，村上龍大，松本直樹，伊吹駿一，高柳敏幸
- Organizer
  第25回理論化学会
- Data Source
  KAKENHI-PROJECT-23K04675
[Presentation] The branching dynamics simulations using QCT, classical MD and RPMD of post-transition-state bifurcation2023
- Author(s)
  村上龍大，松本直樹，菊間悠矢，伊吹駿一，荻野加暖，橋本ゆう，高柳敏幸
- Organizer
  38th Symposium on Chemical Kinetics and Dynamics
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K04675

1. 久間晋 (50600045)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 藤井朱鳥 (50218963)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 三浦伸一 (10282865)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 高柳敏幸 (90354894)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results

Murakami Tatsuhiro 村上 龍大

Research Projects

Research Products

Co-Researchers

極低温ヘリウム液滴ビームをナノ反応空間とした水素結合系化学反応の探索

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Theoretical investigation of solvent effects in post transition-state bifurcation reaction

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

The clarification of reaction path bifurcation mechanisms affected by nuclear quantum effectsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Computational study on the bifurcation mechanism in the H2CO- + CH3Cl →CH3CH2O + Cl-/H2CO + CH3 + Cl- reaction: The importance of intramolecular vibrational redistributions2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Temperature effects on the branching dynamics in the model ambimodal (6+4)/(4+2) intramolecular cycloaddition reaction2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Molecular dynamics simulation study of post‐transition state bifurcation: A case study on the ambimodal transition state of dipolar/Diels-Alder cycloaddition2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels?Alder cycloaddition between cyclobutadiene and butadiene2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H<sup>+</sup> → CO + H<sub>3</sub>O<sup>+</sup>/HCO<sup>+</sup> + H<sub>2</sub>O dissociation: application of machine-learning techniques2023

Author(s)

Journal Title

DOI

Data Source

[Presentation] リングポリマー分子動力学シミュレーションによる反応経路分岐メカニズムの解明2025

Author(s)

Organizer

Data Source

[Presentation] 分子動力学法及び機械学習解析を用いたH2CO－ + CH3Cl分岐反応機構の解明2024

Author(s)

Organizer

Data Source

[Presentation] 分子内(6+4)/(4+2)環化付加分岐反応における分岐ダイナミクスの温度依存性2024

Author(s)

Organizer

Data Source

[Presentation] リングポリマー分子動力学計算と機械学習解析による反応経路分岐機構の解明2024

Author(s)

Organizer

Data Source

[Presentation] 分子動力学法を用いたPost-Transition State Bifurcation (PTSB)現象の理論解析2023

Author(s)

Organizer

Data Source

[Presentation] Ring-polymer molecular dynamics simulations and machine-learning assisted study of the reaction bifurcation mechanism: Application to the Diels-Alder intramolecular cycloaddition2023

Author(s)

Organizer

Data Source

[Presentation] Machine-learning-assisted study of the dissociation mechanisms of protonated formic acid2023

Author(s)

Organizer

Data Source

Murakami Tatsuhiro 村上龍大