Atom classification model for total energy evaluation of two-dimensional multicomponent materials
Published in The Journal of Physical Chemistry A, 2020
Recommended citation: https://pubs.acs.org/doi/full/10.1021/acs.jpca.0c02431
Herein, we propose an atom classification model to describe the multicomponent materials based on the structural recognition, in which the atoms are classified to estimate the total energies.