Machine learning force fields and coarse-grained variables in molecular dynamics: application to materials and biological systems

Gkeka P, Stoltz G, Farimani AB, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson A, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, Wiewiora R, Leliévre T.
Journal of Chemical Theory and Computation 60:6211, 2020. [DOI] [arXiv]

We review the state of the art in applying machine learning to coarse grain force fields in space and time to study mutliscale dynamics.