Machine Learning Nucleation Collective Variables with Graph Neural Networks. (2024)

First Author: Dietrich FM
Attributed to:  Crystallisation in the Real World: Delivering Control through Theory and Experiment funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.3c00722

PubMed Identifier: 37877821

Publication URI: http://europepmc.org/abstract/MED/37877821

Type: Journal Article/Review

Volume: 20

Parent Publication: Journal of chemical theory and computation

Issue: 4

ISSN: 1549-9618