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20242026
most citedBenchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces

4 citations · 5 across the 7 of their papers we have counts for

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physics.chem-ph2024★ 4 cited

Benchmarking of machine learning interatomic potentials for reactive hydrogen dynamics at metal surfaces

Wojciech G. Stark, Cas van der Oord, Ilyes Batatia +4

Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynami…

cond-mat.mtrl-sci2024★ 1 cited

First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer

Gang Meng, James Gardner, Wenjie Dou +2

Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem…