MATSUMURA, Yoshihiro

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MATSUMURA, Yoshihiro
Postdoctoral Fellow
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Contact

ymat atmark icredd.hokudai.ac.jp

KOMATSUZAKI, Tamiki Group
Principal Investigator
Faculty Members
Postdoctoral Fellows
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    MATSUMURA, Yoshihiro
Research Collaborators
Staff

About the Research

Research Theme

Development of reinforcement learning algorithms for investigating complicated chemical reactions

Keyword

Reinforcement learning, multi-armed bandit, enantio-selective catalytic reactions

Research Outline

My research interests are the development of reinforcement learning algorithms for the efficient exploration of novel chemical reaction systems and their reaction networks. Now I am studying enantio-selective catalytic reactions.

Representative Research Achievements

  • Microscopic insights into dynamic disorder in the isomerization dynamics of the protein BPTI
    Y. Matsumura, S. Saito. J. Chem. Phys., 154, 224113 (11 pages), (2021).
    DOI: 10.1063/5.0055152
  • Chiral effects on the final step of an octahedron-shaped coordination capsule self-assembly
    Y. Matsumura, S. Iuchi, S. Hiraoka, H. Sato. Phys. Chem. Chem. Phys. (Communication), 20, 7383-7386, (2018).
    DOI: 10.1039/c7cp08237a
  • A model electronic Hamiltonian for the self-assembly of an octahedron-shaped coordination capsule
    Y. Matsumura, S. Iuchi, H. Sato. Phys. Chem. Chem. Phys., 20, 1164-1172, (2018).
    DOI: 10.1039/c7cp06094g
  • A reaction model on the self-assembly process of octahedron-shaped coordination capsules
    Y. Matsumura, S. Hiraoka, H. Sato. Phys. Chem. Chem. Phys. (Communication), 19, 20338-20342, (2017).
    DOI: 10.1039/c7cp03493h
  • An integral equation theory for solvation effects on the molecular structural fluctuation
    Y. Matsumura, H. Sato. J. Chem. Phys., 143, 014104 (8 pages), (2015).
    DOI: 10.1063/1.4923038