Presentation Information

3:55 PM - 4:15 PM JST(6:55 AM - 7:15 AM UTC)Japanese

[A1456-3vn-01]Descriptors of Reaction Route Maps Based on Persistent Homology: Extension to Dissociation Reactions

○Burai Murayama¹, Masamitsu Aoki², Takuya Saito³, Ken Nakashima⁴, Takenobu Nakamura⁵, Hiroshi Teramoto⁶, Tetsuya Taketsugu^2,3, Masato Kobayashi^2,3 (1. Graduate School of Chemical Sciences and Engineering, Hokkaido Univ., 2. Faculty of Science, Hokkaido Univ., 3. WPI-ICReDD, Hokkaido Univ., 4. Faculty of Materials for Energy, Shimane Univ., 5. AIST, 6. Faculty of Engineering Science, Kansai Univ.)

Keywords:

Reaction Route Map,Potential Energy Surface,Topological Data Analysis,Dissociation

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