松村 祥宏

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松村 祥宏
博士研究員
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ymat atmark icredd.hokudai.ac.jp

小松崎 民樹 グループ
主任研究者
教員
博士研究員
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    松村 祥宏
研究協力者
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研究紹介

研究テーマ

Development of reinforcement learning algorithms for investigating complicated chemical reactions

キーワード

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

研究概要

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.

代表的な研究成果

  • 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

業績一覧

2024年

  • Multi-Armed Bandit Algorithm for Sequential Experiments of Molecular Properties with Dynamic Feature Selection
    M. Abedin, K. Tabata, Y. Matsumura, T. Komatsuzaki, J. Chem. Phys., 2024, 161,
    DOI: 10.1063/5.0206042
  • Virological Characteristics of the SARS-CoV-2 Omicron EG.5.1 Variant
    S. Tsujino, S. Deguchi, T. Nomai, M. Padilla-Blanco, A. Plianchaisuk, L. Wang, M. Begum, K. Uriu, K. Mizuma, N. Nao, I. Kojima, T. Tsubo, J. Li, Y. Matsumura, M. Nagao, Y. Oda, M. Tsuda, Y. Anraku, S. Kita, H. Yajima, K. Sasaki-Tabata, Z. Guo, A. Hinay, K. Yoshimatsu, Y. Yamamoto, T. Nagamoto, H. Asakura, M. Nagashima, K. Sadamasu, K. Yoshimura, H. Nasser, M. Jonathan, O. Putri, Y. Kim, L. Chen, R. Suzuki, T. Tamura, K. Maenaka, T. Irie, K. Matsuno, S. Tanaka, J. Ito, T. Ikeda, K. Takayama, J. Zahradnik, T. Hashiguchi, T. Fukuhara, K. Sato, G. P. J. G. Consortium, MICROBIOLOGY AND IMMUNOLOGY, 2024, ,
    DOI: 10.1111/1348-0421.13165

2023年

  • Conformational Dynamics in Proteins: Entangled Slow Fluctuations and Nonequilibrium Reaction Events
    J. Ono, Y. Matsumura, T. Mori, S. Saito, J. Phys. Chem. B, 2023, 128, 1, 20-32
    DOI: 10.1021/acs.jpcb.3c05307