Matthias Scheffler

Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data

Alexandre Tkatchenko, Matthias Scheffler · Physical Review Letters · 2009 · 6.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.9K citations · Full text

Natural Sciences, Chemistry, Physics +17

Adsorbate-substrate and adsorbate-adsorbate interactions of Na and K adlayers on Al(111)

Jörg Neugebauer, Matthias Scheffler · Physical review. B, Condensed matter · 1992 · 2.8K citations · Full text

Natural Sciences, Materials Science, Physics +17

New tolerance factor to predict the stability of perovskite oxides and halides

Christopher J. Bartel, Christopher Sutton, Bryan R. Goldsmith et al. · Science Advances · 2019 · 1.7K citations · Full text

Natural Sciences, Materials Engineering, Materials Science +15

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman et al. · Science · 2016 · 1.6K citations · Full text

Natural Sciences, Chemistry, Physics +13