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Updated: Oct 23, 2025

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MCML: Combining physical constraints with experimental data for a multi-purpose meta-generalized gradient

Kristopher Brown1,2, Yasheng Maimaiti1,2, Kai Trepte1

  • 1SUNCAT Center for Interface Science and Catalysis, SLAC National Accelerator Laboratory, Menlo Park, California, USA.

Journal of Computational Chemistry
|August 18, 2021
PubMed

Keywords:
MCMLdensity functional theorymaterials predictionsmeta-generalized gradient approximationsurface chemistry

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