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J-GLOBAL ID:201501005815109552   Update date: Mar. 08, 2024

MURAKAMI TATSUHIRO

ムラカミ タツヒロ | MURAKAMI TATSUHIRO
Affiliation and department:
Job title: Project Assistant Professor
Research field  (7): Intelligent informatics ,  Structural/physical organic chemistry ,  Computational science ,  Optical engineering and photonics ,  Space and planetary science ,  Theoretical studies related to particle-, nuclear-, cosmic ray and astro-physics ,  Basic physical chemistry
Research theme for competitive and other funds  (2):
  • 2023 - 2026 原子核の量子効果がもたらす反応経路分岐機構の解明
  • 2023 - 2025 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
Papers (16):
  • Tatsuhiro Murakami, Naoki Matsumoto, Takashi Fujihara, Toshiyuki Takayanagi. Possible Roles of Transition Metal Cations in the Formation of Interstellar Benzene via Catalytic Acetylene Cyclotrimerization. Molecules. 2023. 28. 21. 7454-7454
  • Tatsuhiro Murakami, Yuya Kikuma, Shunichi Ibuki, Naoki Matsumoto, Kanon Ogino, Yu Hashimoto, Toshiyuki Takayanagi. Machine learning-assisted study of correlation between post-transition-state bifurcation and initial phase information at the ambimodal transition state. Journal of Physical Organic Chemistry. 2023. 36. e4561
  • Tatsuhiro Murakami, Shunichi Ibuki, Toshiyuki Takayanagi. Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels-Alder cycloaddition between cyclobutadiene and butadiene. Computational and Theoretical Chemistry. 2023. 1227. 114239-114239
  • Tatsuhiro Murakami, Kanon Ogino, Yu Hashimoto, Toshiyuki Takayanagi. Cover Feature: Ring-polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12) (ChemPhysChem 10/2023). ChemPhysChem. 2023. 24. e20220939
  • Tatsuhiro Murakami, Shunichi Ibuki, Yu Hashimoto, Yuya Kikuma, Toshiyuki Takayanagi. Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H+ → CO + H3O+ / HCO+ + H2O dissociation: Application of machine-learning techniques. Physical Chemistry Chemical Physics. 2023. 25. 14016-14027
more...
MISC (1):
  • Murakami, Tatsuhiro, Nanbu, Shinkoh. Intersystem Crossing Reaction for Fluorescent 10-Methyl-9(10H)-Acridone via Dioxetanone Intermediates: On-the-Fly Nonadiabatic ONIOM Molecular Dynamics with Particle Mesh Ewald Method and Thermodynamics Simulations. Time-Dependent Density Functional Theory. 2022
Books (1):
  • Time-Dependent Density Functional Theory Nonadiabatic Molecular Dynamics
    2022 ISBN:9781003319214
Lectures and oral presentations  (21):
  • Machine-learning analysis and molecular dynamics for the post-transition-state bifurcation
    (The 5th conference of Theory and Applications of Computational Chemistry (TACC) 2023)
  • The branching dynamics simulations using QCT, classical MD and RPMD of post-transition-state bifurcation
    (38th Symposium on Chemical Kinetics and Dynamics 2023)
  • Ring-polymer molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation mechanism: Application to the Diels-Alder intramolecular cycloaddition
    (12th International Meeting on Atomic and Molecular Physics and Chemistry (IMAMPC 2023) 2023)
  • Ring-polymer molecular dynamics and kinetics for the H- + C2H2 → H2 + C2H- reaction using the full-dimensional potential energy surface
    (Symposium on Next Generation Astrochemistry 2022)
  • Two-state reactivity in Fe-catalyzed β-hydrogen elimination of ethyl cation
    (XVI. Quantum Reactive Scattering (QRS) 2022)
more...
Education (3):
  • 2012 - 2015 Sophia University Graduate School of Science and Technology
  • 2010 - 2012 Sophia University Graduate School of Science and Technology
  • 2006 - 2010 Sophia University Faculty of Science and Technology Department of Chemistry
Professional career (1):
  • Ph.D (Sophia University)
Work history (10):
  • 2023/06 - 現在 Saitama University Graduate School of Science and Engineering Project Assistant Professor
  • 2022/03 - 現在 Sophia University Faculty of Science and Technology Department of Materials and Life Sciences Research collaborator
  • 2022/03 - 2023/05 Saitama University Graduate School of Science and Engineering Postdoc
  • 2021/04 - 2022/02 Sophia University, Faculty of Science and Technology Researcher
  • 2019/05 - 2020/08 Beijing computational science research center Postdoc
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Association Membership(s) (3):
理論化学会 ,  分子科学会 ,  Royal Australian Chemical Institute (RACI)
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