Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Gkeka P, Stoltz G, Barati Farimani A, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson AL, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, Wiewiora R, Lelièvre T.
Gkeka P, et al. Among authors: stoltz g.
J Chem Theory Comput. 2020 Aug 11;16(8):4757-4775. doi: 10.1021/acs.jctc.0c00355. Epub 2020 Jul 16.
J Chem Theory Comput. 2020.
PMID: 32559068
Free PMC article.
Review.