How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

Kristof T. Schütt(Pfizer (Germany)), E. K. U. Gross(Hebrew University of Jerusalem), Henning Glawe(Max Planck Society), Felix Brockherde(Max Planck Institute of Microstructure Physics), Antonio Sanna(Max Planck Society), K. Müller(Humboldt-Universität zu Berlin)
Physical Review B
May 21, 2014
Cited by 485


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