Data-driven learning and prediction of inorganic crystal structures

Volker L. Deringer, Davide M. Proserpio, Gábor Csányi, Chris J. Pickard
2018 Faraday discussions  
Machine learning-based interatomic potentials, fitting energy landscapes "on the fly", are emerging and promising tools for crystal structure prediction.
doi:10.1039/c8fd00034d pmid:30043006 fatcat:6i45xmi2njg3zascfbx3etnl54