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Replication Data for: Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events

Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)

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Title Replication Data for: Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
 
Identifier https://doi.org/10.7910/DVN/UEK4YH
 
Creator Sun, Lixin
Vandermause, Jonathan
Batzner, Simon
Xie, Yu
Clark, David
Chen, Wei
Kozinsky, Boris
 
Publisher Harvard Dataverse
 
Description The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.
 
Subject Chemistry
 
Contributor Miller, Jeffrey