Anharmonic contributions to ab initio computed thermodynamic material properties
Elektronische Ressource, Paderborn, 2016
Development and application of semi-empirical interatomic potentials to study interface faceting and fracture
Elektronische Ressource, Paderborn, 2022Interstitial solution enthalpies derived from first-principles
knowledge discovery using high-throughput databasesElektronische Ressource, Paderborn, 2016pyiron - an integrated development environment for ab initio thermodynamics
Elektronische Ressource, Paderborn, 2021