Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

By J. Wellendorff, Keld T. Lundgaard, A. Møgelhøj, V. Petzold, D. D. Landis, Jens K. Nørskov, Thomas Bligaard, Karsten Wedel Jacobsen. 2012

986 citations recorded by the source corpus.

Subfields: Atmospheric Science, Condensed Matter Physics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/a4058c25fb1bd013b0bebcda8755f2b683d5431d

How researchers see this paper

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In Materials Chemistry

1. Keith T. Butler
2. Aron Walsh
3. Eric P. Xing
4. Valentino R. Cooper
5. Kristian Berland
6. Olexandr Isayev
7. Hugh M. Cartwright
8. Willie Neiswanger

Citations in the corpus

• Methods for comparing uncertainty quantifications for material property predictions (2019, methodology): “For example: If we used the Bayesian Error Estimation Functional with van der Waals correlation (BEEF-vdW) [38], then our DFT calculated adsorption energies would have been distributions rather than than single point estimates.”
• van der Waals forces in density functional theory: a review of the vdW-DF method (2014, methodology): “An almost opposite approach to how vdW-DF originally was developed is used in the ‘BEEF–vdW model compromise’ [219].”