Coarse graining molecular dynamics with graph neural networks.
Husic BE, Charron NE, Lemm D, Wang J, Pérez A, Majewski M, Krämer A, Chen Y, Olsson S, de Fabritiis G, Noé F, Clementi C.
Husic BE, et al. Among authors: majewski m.
J Chem Phys. 2020 Nov 21;153(19):194101. doi: 10.1063/5.0026133.
J Chem Phys. 2020.
PMID: 33218238
Free PMC article.