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Overcoming the limitations of body-ordered potentials for atomistic machine learning

Bigi, Filippo et al.
arXiv (All) · Papers
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chemical-physics
Machine-learning interatomic potentials have become indispensable tools in atomistic simulations. The most popular models rely heavily on physical priors, such as locality, smoothness and symmetry, that are assumed to improve the accuracy and transferability of the trained models. However, recent ev
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