Novel Descriptor of Potential Energy Surface: Persistent Homology of Reaction Route Map-Reference-Cited by-同舟云学术

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

Author:

MURAYAMA Burai¹,KOBAYASHI Masato²³,AOKI Masamitsu²⁴,ISHIBASHI Suguru⁴,SAITO Takuya⁴,NAKAMURA Takenobu⁵,TERAMOTO Hiroshi⁶,TAKETSUGU Tetsuya²³

Affiliation:

1. Graduate School of Chemical Sciences and Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo, Hokkaido 060-8626, Japan

2. Faculty of Science, Hokkaido University, Kita 10 Nishi 8, Kita-ku, Sapporo, Hokkaido 060-0810, Japan

3. WPI-ICReDD, Hokkaido University, Kita 21 Nishi 10, Kita-ku, Sapporo, Hokkaido 001-0021, Japan

4. Graudate School of Science, Hokkaido University, Kita 10 Nishi 8, Kita-ku, Sapporo, Hokkaido 060-0810, Japan

5. National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan

6. Faculty of Engineering Science, Kansai University, 3-3-35 Yamatecho, Suita, Osaka 564-8680, Japan

Funder

Ministry of Education, Culture, Sports, Science and Technology

Japan Society for the Promotion of Science

Publisher

Society of Computer Chemistry Japan

Link

Reference6 articles.

1. [1] D. Wales, Energy Landscapes: Applications to Clusters, Biomolecules and Glasses, Cambridge University Press (2003).

5. [5] K. Ohno, H. Satoh, Exploration on Quantum Chemical Potential Energy Surface, Royal Society of Chemistry (2023).