Tatsuhiro Murakami

Project Assistant Professor

Saitama University

Japan

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About

Dr. Tatsuhiro Murakami is a Project Assistant Professor at Saitama University in Japan. His research primarily focuses on computational chemistry, specifically in the areas of molecular dynamics simulations, reaction dynamics, and isotope effects. Recent publications include studies on ambimodal cycloaddition reactions, ion dissociation dynamics, and branching reactions involving complex molecular systems.

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2025

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2022

Collaborators (5)

Toshiyuki Takayanagi

JAPAN

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Takashi Fujihara

JAPAN

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Kiyoshi Yagi

Professor

University of Tsukuba

JAPAN

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Takayuki Yamaguchi

Saitama University

JAPAN

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Naoki Kimura

National Institute for Fusion Science

JAPAN

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Tatsuhiro Murakami

Research Interests

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About

Articles (22)

Fermi resonance in the radiative vibrational cooling dynamics of N2O+

Solvent Effects on the Selectivity of Ambimodal Dipolar/Diels–Alder Cycloadditions: A Study Using Explicit Solvation Models

Attractive Force-Induced Isotope Effects through Ring-Polymer Molecular Dynamics Simulations for the Barrierless Reaction between HNCO and H3+ Isotopologues: H3+, H2D+, HD2+, and D3+

Investigation of the Gas-Phase N2+ + CH3CN Reaction at Low Temperatures

Nuclear Quantum Effects in the Ionic Dissociation Dynamics of HCl on the Water Ice Cluster

Computational study on the bifurcation mechanism in the H2CO− + CH3Cl →CH3CH2O + Cl−/H2CO + CH3 + Cl− reaction: The importance of intramolecular vibrational redistributions

Temperature effects on the branching dynamics in the model ambimodal (6 + 4)/(4 + 2) intramolecular cycloaddition reaction

Molecular dynamics simulation study of post‐transition state bifurcation: A case study on the ambimodal transition state of dipolar/Diels–Alder cycloaddition

Theoretical Study of the Thermal Rate Coefficients of the H3+ + C2H4 Reaction: Dynamics Study on a Full-Dimensional Potential Energy Surface

Computational study of the post-transition state dynamics for the OH + CH3OH reaction probed by photodetachment of the CH3O−(H2O) anion

Kinetics and Ring-Polymer Molecular Dynamics Studies of the H3+ + HNCO → H2 + HNCOH+/H2NCO+ Branching Reaction on a Developed Full-Dimensional Potential Energy Surface

Molecular dynamics simulations and machine-learning assisted study of the reaction path bifurcation: Application to the intramolecular Diels–Alder cycloaddition between cyclobutadiene and butadiene

Machine learning‐assisted study of correlation between post‐transition‐state bifurcation and initial phase information at the ambimodal transition state

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)

Ring‐polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2O)n (n=8, 10, and 12)

Theoretical Calculations of the Thermal Rate Coefficients for the Interstellar NH3+ + H2 → NH4+ + H Reaction on a New Δ-Machine Learning Potential Energy Surface

The importance of nuclear dynamics in reaction mechanisms of acetylene cyclotrimerization catalyzed by Fe+-compounds

Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H+ → CO + H3O+/HCO+ + H2O dissociation: application of machine-learning techniques

Possible Roles of Transition Metal Cations in the Formation of Interstellar Benzene via Catalytic Acetylene Cyclotrimerization

Ring-Polymer Molecular Dynamics and Kinetics for the H– + C2H2 → H2 + C2H– Reaction Using the Full-Dimensional Potential Energy Surface

Interstellar Benzene Formation Mechanisms via Acetylene Cyclotrimerization Catalyzed by Fe+ Attached to Water Ice Clusters: Quantum Chemistry Calculation Study

Triplet-quintet spin-crossover efficiency in β-hydrogen transfer between Fe(C2H5)+ and HFe(C2H4)+

Collaborators (5)

Toshiyuki Takayanagi

Takashi Fujihara

Kiyoshi Yagi

Takayuki Yamaguchi

Naoki Kimura

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