13 citations · 23 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2022★ 10 cited
Hubbard-corrected oxide formation enthalpies without adjustable parameters
Johannes Voss
A density functional theory (DFT) approach to computing transition metal oxide heat of formation without adjustable parameters is presented. Different degrees of -electron local…
physics.comp-ph2022★ 13 cited
Data-driven and constrained optimization of semi-local exchange and non-local correlation functionals for materials and surface chemistry
Kai Trepte, Johannes Voss
Reliable predictions of surface chemical reaction energetics require an accurate description of both chemisorption and physisorption. Here, we present an empirical approach to simu…