The role of nuclear charges in unifying the descriptions of neural networks (NN)-based force fields
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DOI: 10.1016/j.matlet.2020.128262
Abstract: Abstract NN-based force fields development has shown its merit of low cost, accuracy and versatility; where the choice of descriptors plays a central role. In this contribution, descriptors representing atomic environments with/without nuclear charges are… read more here.
Keywords: based force; nuclear charges; force; role ... See more keywords