Kingsbury Research Group
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Performance comparison of r2SCAN and SCAN metaGGA density functionals for solid materials via an automated, high-throughput computational workflow
Computational materials discovery efforts utilize hundreds or thousands of density functional theory (DFT) calculations to predict …
Ryan S. Kingsbury
,
Ayush Gupta
,
Christopher J. Bartel
,
Shyam Dwaraknath
,
Matthew Horton
,
Kristin A. Persson
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