2 citations · 3 across the 2 of their papers we have counts for
2 papers
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-ph2021★ 2 cited
A Grid-free Approach for Simulating Sweep and Cyclic Voltammetry
Alec J. Coffman, Jianfeng Lu, Joseph E. Subotnik
We present a new computational approach to simulate linear sweep and cyclic voltammetry experiments that does not require a discretized grid in space to quantify diffusion. By usin…