Keld T. Lundgaard

Publications

mBEEF-vdW: Robust fitting of error estimation density functionals. Keld T Lundgaard, Jess Wellendorff, Johannes Voss, Karsten W Jacobsen, Thomas Bligaard . Physical Review B , 93 , 235162- . 2016. mBEEF: An accurate semi-local Bayesian error estimation density functional. Jess Wellendorff, Keld T. Lundgaard, Karsten W. Jacobsen, Thomas Bligaard . The Journal of Chemical Physics , 140 , 144107- . 2014.
First principles investigation of zinc-anode dissolution in zinc–air batteries. Samira Siahrostami, Vladimir Tripković, Keld T. Lundgaard, Kristian E. Jensen, Heine A. Hansen, Jens S. Hummelshøj, Jón S. G. Mýrdal, Tejs Vegge, Jens K. Nørskov, Jan Rossmeisl . Physical Chemistry Chemical Physics , 15 , 6416- 6421 . 2013. Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation. Jess Wellendorff, Keld T. Lundgaard, Andreas Møgelhøj, Vivien Petzold, David D. Landis, Jens K. Nørskov, Thomas Bligaard, Karsten W. Jacobsen . Physical Review B , 85 , 235149- . 2012.