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 · 6.1K citations · Full text

Engineering, Correction Method, Computational Chemistry +16

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.8K citations · Full text

Engineering, Computational Chemistry, Chemistry +16

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

Jörg Neugebauer, Matthias Scheffler · Physical review. B, Condensed matter · 1992 · 2.7K citations · Full text

Aluminium Nitride, Engineering, Computational Chemistry +21

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 · 1.6K citations · Full text

Reproducibility in density functional theory calculations of solids

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

Molecular Solid, Engineering, Physics +13