Murakami Tatsuhiro 村上龍大

Researcher Number	20756960
Other IDs	https://orcid.org/0000-0001-8904-8673
Affiliation (Current)	2024: 埼玉大学, 理工学研究科, その他
Affiliation (based on the past Project Information) *help	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
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

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 2024 2023

All Journal Article Presentation

[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
[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
- DOI
  10.1002/poc.4561
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-22K05031, KAKENHI-PROJECT-23K04675
[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
[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
[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. 高柳敏幸

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results

Murakami Tatsuhiro 村上 龍大

Research Projects

Research Products

Co-Researchers

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] 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] 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

[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)

Organizer

Data Source

[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)

Organizer

Data Source

[Presentation] Machine-learning analysis and molecular dynamics for the post-transition-state bifurcation systems2023

Author(s)

Organizer

Data Source

[Presentation] 機械学習を用いた分岐反応の解析2023

Author(s)

Organizer

Data Source

[Presentation] The branching dynamics simulations using QCT, classical MD and RPMD of post-transition-state bifurcation2023

Author(s)

Organizer

Data Source

Murakami Tatsuhiro 村上龍大