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

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physics.comp-ph2024★ 2 cited

Self-consistent Coulomb interactions for machine learning interatomic potentials

Jack Thomas, William J. Baldwin, Gábor Csányi +1

A ubiquitous approach to obtain transferable machine learning-based models of potential energy surfaces for atomistic systems is to decompose the total energy into a sum of local a…