10 citations · 12 across the 5 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
physics.chem-ph2023★ 1 cited
On the use of QM/MM Surface Hopping simulations to understand thermally-activated rare event nonadiabatic transitions in the condensed phase
Alec J. Coffman, Zuxin Jin, Junhan Chen +2
We implement a rare-event sampling scheme for quantifying the rate of thermally-activated nonadiabatic transitions in the condensed phase. Our QM/MM methodology uses the recently d…
physics.chem-ph2023
Nonadiabatic Potential Energy Surfaces For A Molecule on a Surface as Found by Constrained Complete Active Space Theory
Junhan Chen, Joseph Subotnik
In order to study electron-transfer mediated chemical processes on a metal surface, one requires not one but two potential energy surfaces (one ground state and one excited state)…