Xavier Rosas Advincula | The ICE Group

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Publications

Machine Learning Nucleation Collective Variables with Graph Neural Networks

FM Dietrich, XR Advincula, G Gobbo, MA Bellucci, M Salvalaglio

– Journal of chemical theory and computation

(2023)

20,

1600

(doi: 10.1021/acs.jctc.3c00722)