Ab initio-Berechnung der optischen und phononischen Eigenschaften von Lithiumniobat und verwandten ferroelektrischen Materialien
Elektronische Ressource, Paderborn, 2018
Anharmonic contributions to ab initio computed thermodynamic material properties
Elektronische Ressource, Paderborn, 2016
Au atomic wires on silicon: spin order and phase transitions in low-dimensional systems
Elektronische Ressource, Paderborn, 2021
Coupling of electron and ion dynamics in 1D, 2D and 3D materials
Elektronische Ressource, Paderborn, 2017
Electron dynamics in optically excited systems: Molecules, solids and interfaces
Elektronische Ressource, Paderborn, 2023
Elektronische und optische Eigenschaften von Alkaliniobaten berechnet innerhalb der Dichtefunktionaltheorie
Elektronische Ressource, Paderborn, 2023
Experimental and theoretical (high energy resolution) X-ray absorption and emission spectroscopy
Elektronische Ressource, Paderborn, 2019
Fingerprints of order and disorder
the electronic structure and optical response of crystalline and amorphous materialsElektronische Ressource, Paderborn, 2020

Influence of spin-orbit coupling on the electronic structure of low-dimensional systems
Elektronische Ressource, Paderborn, 2016
Interstitial solution enthalpies derived from first-principles
knowledge discovery using high-throughput databasesElektronische Ressource, Paderborn, 2016
LiNbO3 and Li6Y(BO3)3 as optical materials for telecommunication
Elektronische Ressource, Paderborn, 2018
Modelling electron exchange and correlation for catalyst electronic structure simulations
Elektronische Ressource, Paderborn, 2022
Optical and Electrochemical Properties of KTP-Type Crystals
Elektronische Ressource, Paderborn, 2023
Optical response and surface properties of KTiOPO4 and related materials
Elektronische Ressource, Paderborn, 2023
Periodically poled waveguides in potassium titanyl phosphate
from technology development to applicationsElektronische Ressource, Paderborn, 2019
pyiron - an integrated development environment for ab initio thermodynamics
Elektronische Ressource, Paderborn, 2021

Understanding on-surface structure formation and chemical transformations from theoretical spectroscopy
Elektronische Ressource, Paderborn, 2018
