most citedA Grid-free Approach for Simulating Sweep and Cyclic Voltammetry

2 citations · 3 across the 2 of their papers we have counts for

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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…