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