Accelerated Organic Crystal Structure Prediction with Genetic Algorithms and Machine Learning
Author:
Affiliation:
1. Good Chemistry Company, 1285 W Pender Street, Vancouver, British Columbia V6E 4B1, Canada
2. Department of Chemistry, University of Florida, P.O. Box 117200, Gainesville, Florida 32611-7200, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00853
Reference72 articles.
1. Polymorphism in Molecular Crystals
2. A strategy for predicting the crystal structures of flexible molecules: the polymorphism of phenobarbital
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4. Machine learning for the structure–energy–property landscapes of molecular crystals
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