講演情報

[B-302L]Nonadiabatic Chemical Reactions with Nuclear Quantum Effects: Methodological extensions to Ring-Polymer Molecular Dynamics

○Victor Suarez1, Ziying Cao1, Joshua Kretchmer2 (1. Georgia Tech PhD Student, 2. Georgia Tech Professor)

キーワード:

nonadiabatic molecular dynamics (NAMD)、ring-polymer molecular dynamics (RPMD)、nuclear quantum effects (NQE)、electron transfer (ET)