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Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials. (2021)

First Author: Xu J

Attributed to: Support for the UKCP consortium funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.1c00261

PubMed Identifier: 34100605

Publication URI: http://europepmc.org/abstract/MED/34100605

Type: Journal Article/Review

Volume: 17

Parent Publication: Journal of chemical theory and computation

Issue: 7

ISSN: 1549-9618