Machine Learning Interatomic Potentials for Reactive Hydrogen Dynamics at Metal Surfaces Based on Iterative Refinement of Reaction Probabilities.

J Phys Chem C Nanomater Interfaces · 2023 · PMC10749455 · PMID 38148847

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98 Such effects may be significant for the simulation of, for example, state-to-state scattering probabilities. 27 Furthermore, including the larger unit cell will be beneficial to future-proof the dataset for the study of the on-surface and sub-surface chemistry of hydrogen.

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