Bayesian force fields from active learning for simulation of inter-dimensional transformation of stanene

by Yu Xie, Jonathan Vandermause, Lixin Sun, Andrea Cepellotti, Boris Kozinsky
Published 2021-03-01

Accurate and scalable graph neural network force field and molecular dynamics with direct force architecture

by Cheol Woo Park, Mordechai Kornbluth, Jonathan Vandermause, Chris Wolverton, Boris Kozinsky, Jonathan P. Mailoa
Published 2021-05-01