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to density functional theory (DFT) calculations and the generation of high-quality atomistic datasets for the development of analytical bond-order potentials (ADP) and machine-learned interatomic potentials
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Chemical Physics 18: 16216, 2016 Liu Y, Gokcen D, Bertocci U, Moffat TP: Self-Terminating Growth of Platinum Films by Electrochemical Deposition. Science 338: 1327, 2012 Joint density functional theory
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