Improving accuracy of interatomic potentials: more physics or more data? A case study of silica
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DOI: 10.1016/j.mtcomm.2018.11.008
Abstract: Abstract In this paper we test two strategies to improving the accuracy of machine-learning potentials, namely adding more fitting parameters thus making use of large volumes of available quantum-mechanical data, and adding a charge-equilibration model… read more here.
Keywords: physics; potentials physics; improving accuracy; accuracy ... See more keywords