Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
Author:
Affiliation:
1. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, United States
Funder
Basic Energy Sciences
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00143
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