Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems. (2020)

First Author: Gkeka P
Attributed to:  Data-Driven Coarse-Graining using Space-Time Diffusion Maps funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.0c00355

PubMed Identifier: 32559068

Publication URI: http://europepmc.org/abstract/MED/32559068

Type: Journal Article/Review

Volume: 16

Parent Publication: Journal of chemical theory and computation

Issue: 8

ISSN: 1549-9618