Atom classification model for total energy evaluation of two-dimensional multicomponent materials

Published in The Journal of Physical Chemistry A, 2020

Recommended citation: Chang-Chun He, Shao-Bin Qiu, Ju-Song Yu, Ji-Hai Liao, Yu-Jun Zhao, Xiao-Bao Yang J. Phys. Chem. A 124, 22, 4506–4511 (2020) /files/pdf/research/2020-JPCA.pdf