Volker Blüm

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

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

DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

B. Hourahine, Bálint Aradi, Volker Blüm et al. · The Journal of Chemical Physics · 2020 · 1.2K citations · Full text

Natural Sciences, Chemistry, Physics +17

Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites

Vincent Wing‐hei Lau, Igor Moudrakovski, Tiago Botari et al. · Nature Communications · 2016 · 822 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and<i>GW</i>with numeric atom-centered orbital basis functions

Xinguo Ren, Patrick Rinke, Volker Blüm et al. · New Journal of Physics · 2012 · 737 citations · Full text

Natural Sciences, Chemistry, Physics +15