Anharmonic contributions to ab initio computed thermodynamic material properties
Glensk, Albert ; Finnis, Michael W. ; Schmidt, W. Gero ; Neugebauer, JörgElektronische Ressource, Paderborn, 2016Coupling of electron and ion dynamics in 1D, 2D and 3D materials
Lücke, Andreas ; Meier, Cedrik ; Schmidt, W. Gero ; Horn-von Hoegen, Michael ; Reichelt, MatthiasElektronische Ressource, Paderborn, 2017The dangling-bond defect in silicon
Insights into electronic and structural effects from first-principles calculations of the EPR-parametersPfanner, Gernot2012Electron dynamics in optically excited systems: Molecules, solids and interfaces
Krenz, Marvin ; As, Donat J. ; Schmidt, W. Gero ; Sanna, Simone ; Pinske, JulienElektronische Ressource, Paderborn, 2023Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy
Müller, Patrick ; Bauer, Matthias ; Kühne, Thomas ; Schmidt, W. Gero ; Warnecke, Hans-JoachimElektronische Ressource, Paderborn, 2019Fingerprints of order and disorder
the electronic structure and optical response of crystalline and amorphous materialsLandmann, Marc ; Lindner, Jörg ; Schmidt, W. Gero ; Kühne, Thomas ; Reichelt, MatthiasElektronische Ressource, Paderborn, 2020Influence of spin-orbit coupling on the electronic structure of low-dimensional systems
Vollmers, Nora Jenny ; Schmidt, W. Gero ; Tegenkamp, Christoph ; Meier, Cedrik ; Reichelt, Matthias ; Universität PaderbornElektronische Ressource, Paderborn, 2016Interstitial solution enthalpies derived from first-principles
knowledge discovery using high-throughput databasesAydin, Ugur ; Neugebauer, Jörg ; Schmidt, W. Gero ; Universität PaderbornElektronische Ressource, Paderborn, 2016Limitierungen der p-Dotierbarkeit von Galliumnitrid
eine Defektstudie von GaN:Mg auf Basis der DichtefunktionaltheorieLange, Björn2012LiNbO3 and Li6Y(BO3)3 as optical materials for telecommunication
Arceiz Casas, Sara ; Greulich-Weber, Siegmund ; Schmidt, W. GeroElektronische Ressource, Paderborn, 2018Modelling electron exchange and correlation for catalyst electronic structure simulations
Badalov, Sabuhi ; Bartley, Tim ; Schmidt, W. Gero ; Sanna, Simone ; Eigner, ChristofElektronische Ressource, Paderborn, 2022Optical and Electrochemical Properties of KTP-Type Crystals
Bocchini, Adriana ; Schmidt, W. Gero ; Sanna, Simone ; Reichelt, Matthias ; Silberhorn, ChristineElektronische Ressource, Paderborn, 2023Optical response and surface properties of KTiOPO4 and related materials
Neufeld, Sergej ; Schmidt, W. Gero ; Sanna, Simone ; Eigner, Christof ; Bartley, TimElektronische Ressource, Paderborn, 2023pyiron - an integrated development environment for ab initio thermodynamics
Janßen, Jan ; Meier, Cedrik ; Schmidt, W. Gero ; Neugebauer, JörgElektronische Ressource, Paderborn, 2021Understanding on-surface structure formation and chemical transformations from theoretical spectroscopy
Aldahhak, Hazem ; Schmidt, W. Gero ; Rauls, Eva ; Meier, Cedrik ; Reichelt, MatthiasElektronische Ressource, Paderborn, 2018