[IA1] Industry Academia Session 1

11:45 AM - 12:00 PM JST(2:45 AM - 3:00 AM UTC)

[A-202S] Efficient reaction path exploration using semi-empirical quantum chemical method and machine-learning potential

○Yuichiro Yoshida¹, Yuta Katayama², Shigeki Furukawa², Chihiro Mori², Rika Nakagawa², Wataru Mizukami¹ (1. The University of Osaka, 2. TOPPAN Holdings Inc.)

Keywords:

reaction path exploration,semi-empirical quantum chemical calculation,machine-learning potential