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July 03, 2024 article Open access

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

Machine Learning Science and Technology

DOI: 10.1088/2632-2153/ad5f11 Full text (OA) OpenAlex

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References 4

Designing new SRP density functionals including non-local vdW-DF2 correlation for H 2 + Cu(111) and their transferability to H 2 + Ag(111), Au(111) and Pt(111)
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2021 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

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The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments
2022 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions

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The quantum dynamics of H2 on Cu(111) at a surface temperature of 925 K: Comparing state-of-the-art theory to state-of-the-art experiments 2
2022 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

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