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Machine Learning Energies of 2 Million Elpasolite (ABC2D6) Crystals

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Author Faber Felix A., Lindmaa Alexander, von Lilienfeld O. Anatole, Armiento Rickard,
Project From atomistic exploration of chemical compound space towards bio-molecular design: Quantum mechanical rational compound design (QM-RCD)
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Original article (peer-reviewed)

Journal Physical Review Letters
Volume (Issue) 117(13)
Page(s) 135502 - 135502
Title of proceedings Physical Review Letters
DOI 10.1103/physrevlett.117.135502

Open Access

Type of Open Access Publisher (Gold Open Access)