The Open Quantum Materials Database (OQMD): Assessing the accuracy of DFT formation energies

Scott Kirklin, James E. Saal, Bryce Meredig, Alex Thompson, Jeff W. Doak, Muratahan Aykol, Stephan Rühl, Chris Wolverton*

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

1521 Scopus citations

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Keyphrases

Engineering

Chemistry

Earth and Planetary Sciences

Material Science

Chemical Engineering