[P2-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P2-3pm-20] Quantum diffusion process of hydrogen atoms on Ru(001)

○Yiping Chen¹, Kotaro Matsuda¹, Takehiko Sasaki¹, Bo Thomsen², Motoyuki Shiga² (1. The University of Tokyo, 2. Japan Atomic Energy Agency)

Keywords:

Density functional theory,Machine Learning Potential,Quatum transition state theory,Ring polymer molecular dynamics