LeaPP: Learning Pathways to Polymorphs through Machine Learning Analysis of Atomic Trajectories.
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DOI: 10.1021/acs.jctc.5c00097
Abstract: Understanding the mechanisms underlying crystal nucleation and growth is crucial for many technological applications. Due to the short length and time scales involved, crystal nucleation is often studied using molecular simulations. Most existing approaches to… read more here.
Keywords: methodology; nucleation; analysis; leapp learning ... See more keywords