High accuracy and transferability of a neural network potential through charge equilibration for calcium fluoride
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DOI: 10.1103/physrevb.95.104105
Abstract: Somayeh Faraji,1 S. Alireza Ghasemi,1,* Samare Rostami,1 Robabe Rasoulkhani,1 Bastian Schaefer,2 Stefan Goedecker,2 and Maximilian Amsler3 1Institute for Advanced Studies in Basic Sciences, P.O. Box 45195-1159, Zanjan, Iran 2Department of Physics, Klingelbergstrasse 82, 4056 Basel,… read more here.
Keywords: network potential; accuracy transferability; high accuracy; transferability neural ... See more keywords