[[C]C302-3pm1] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

1:10 PM - 1:20 PM JST(4:10 AM - 4:20 AM UTC)Japanese

[[C]C302-3pm1-02] Nonadiabatic molecular dynamics method for elucidating the photoreaction mechanisms of complex systems: Incorporation of the DFTB/SSR method

○Hirotaka Kato¹, Manabu Kanno², Fuminori Misaizu², Hirohiko Kono² (1. Faculty of Science, Tohoku Univ., 2. Graduate School of Science, Tohoku Univ.)

Keywords:

Nonadiabatic molecular dynamics,Surface hopping method,Photoisomerization,Complex systems,DFTB/SSR