村山武来 (Burai Murayama) - マイポータル

基本情報

外部リンク: https://sites.google.com/eis.hokudai.ac.jp/buraimurayama/%E3%83%97%E3%83%AD%E3%83%95%E3%82%A3%E3%83%BC%E3%83%AB

Novel Descriptor of Potential Energy Surface: Persistent Homology of Reaction Route Map

Burai MURAYAMA, Masato KOBAYASHI, Masamitsu AOKI, Suguru ISHIBASHI, Takuya SAITO, Takenobu NAKAMURA, Hiroshi TERAMOTO, Tetsuya TAKETSUGU

Journal of Computer Chemistry, Japan 23(1) 33-36 2024年筆頭著者
Reproducing the Reaction Route Map on the Shape Space from Its Quotient by the Complete Nuclear Permutation-Inversion Group

Hiroshi Teramoto, Takuya Saito, Masamitsu Aoki, Burai Murayama, Masato Kobayashi, Takenobu Nakamura, Tetsuya Taketsugu

Journal of Chemical Theory and Computation 19(17) 5886-5896 2023年8月29日査読有り
Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology

Burai Murayama, Masato Kobayashi, Masamitsu Aoki, Suguru Ishibashi, Takuya Saito, Takenobu Nakamura, Hiroshi Teramoto, Tetsuya Taketsugu

Journal of Chemical Theory and Computation 19(15) 5007-5023 2023年7月3日査読有り筆頭著者

Comparing Potential Energy Surfaces of Different Chemical Compositions Using Descriptors Derived from Persistent Homology

B. Murayama, M. Aoki, T. Saito, K.Nakashima, T. Nakamura, H. Teramoto, T. Taketsugu, M. Kobayashi

Pacifichem2025 2025年12月17日
Persistent Homology of Reaction Route Map

B. Murayama M. Kobayashi M. Aoki, S. Ishibashi, T. Saito, T. Nakamura, H. Teramoto, and T. Taketsugu

APS New England Section (NES) Annual Meeting 2024 2024年10月18日
ポテンシャル曲面の新記述子：反応経路地図のパーシステント・ホモロジー

村山武来, 小林正人, 青木雅允, 石橋卓, 齋藤琢弥, 中村壮伸, 寺本央, 武次徹也

日本コンピュータ化学会秋季年会2023 2023年11月
Characterizing Reaction Route Map of Realistic Molecular Reactions Based on Weight Rank Clique Filtration of Persistent Homology

Burai Murayama, Masato Kobayashi, Masamitsu Aoki, Suguru Ishibashi, Takuya Saito, Takenobu Nakamura, Hiroshi Teramoto, Tetsuya Taketsugu

TACC 2023年9月
Characterizing Reaction Route Map of Realistic Molecular Reactions based on Weight Rank Clique Filtration of Persistent Homology

B. Murayama, M. Kobayashi, M. Aoki, S. Ishibashi, T. Saito, T. Nakamura, H. Teramoto, T. Taketsugu

Asia Pacific Association of Theoretical and Computational Chemistry（APATCC-10） 2023年2月