Presentation Information
[B-120P]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)
Keywords:
nonadiabatic molecular dynamics (NAMD),ring-polymer molecular dynamics (RPMD),nuclear quantum effects (NQE),electron transfer (ET)