G. Kresse

activity

19992023

most citedOn-the-fly machine learning force field generation: Application to melting points

688 citations · 7.1k across the 80 of their papers we have counts for

collaborators

Showing 2009Show all

2 papers · 1 filter

cond-mat.mtrl-sci2009★ 120 cited

The multiferroic phase of DyFeO $_{3}$ :an ab--initio study

Alessandro Stroppa, Martijn Marsman, Georg Kresse +1

By performing accurate ab-initio density functional theory calculations, we study the role of $4 f$ electrons in stabilizing the magnetic-field-induced ferroelectric state of DyFeO$…

cond-mat.mtrl-sci2009★ 304 cited

Theory of Spin-Conserving Excitation of the $N - V^{-}$ Center in Diamond

Adam Gali, Erik Janzén, Péter Deák +2

The negatively charged nitrogen-vacancy defect ( $N - V^{-}$ center) in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker i…

The multiferroic phase of DyFeO3​:an ab--initio study

Theory of Spin-Conserving Excitation of the N−V− Center in Diamond

The multiferroic phase of DyFeO $_{3}$ :an ab--initio study

Theory of Spin-Conserving Excitation of the $N - V^{-}$ Center in Diamond