[A204-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-4am-02] Creating New Descriptors for Potential Energy Landscape by Integrating Reaction Route Map and Persistent Homology

^○Burai Murayama¹, Masato Kobayashi^2,5,6, Masamitsu Aoki², Suguru Ishibashi², Takuya Saito², Takenobu Nakamura³, Hiroshi Teramoto⁴, Tetsuya Taketsugu^2,5,6 (1. Graduate School of Chemical Sciences and Engineering, Hokkaido University, 2. Faculty of Science, Hokkaido University, 3. National Institute of Advanced Industrial Science and Technology, 4. Faculty of Engineering Science, Kansai University, 5. WPI-ICReDD, Hokkaido University, 6. ESICB, Kyoto University)

[Lang.] Japanese

Keywords:GRRM, global route map, persistent homology, potential energy landscape