Publications
Machine Learning Nucleation Collective Variables with Graph Neural Networks.
J Chem Theory Comput
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
Clay Edges Are Dynamic Proton-Conducting Networks Modulated by Structure and pH
Journal of Physical Chemistry Letters
(doi: 10.1021/acs.jpclett.5c03748)
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