Doctoral Theses

Ignacio Gonzalez Oliva (2025)
Optoelectronic excitations of hybrid inorganic organic systems including electron-phonon interaction

Martin Kuban (2025)
Classification of materials based on similarity measures

Cecilia Vona (2025)
Electronic excitations in hybrid perovskites

Jongmin Kim (2023)
Ab initio study of work function modification at organic/metal interfaces

Benedikt Hoock (2022)
Development and Application of Machine Learning Methods to Current Problems of Theoretical Solid State Physics

Axel Hübner (2022)
Many-body theory for the lattice thermal conductivity of crystalline thermoelectrics

Maria Troppenz (2021)
Electronic Transport Properties of Thermoelectric Materials with a Focus on Clathrate Compounds

Archana Manoharan (2021)
X-ray Absorption Spectra of Kesterite-based Materials Studied from First Principles

Christian Vorwerk (2020)
Theoretical Spectroscopy of Ga₂O₃

Wahib Aggoune (2018)
Optical excitations of selected van der Waals heterostructures investigated by many-body perturbation theory

Nora Salas-Illanes (2018)
Electronic Structure of Selected Materials by Means of the QSGW method within the LAPW+LO framework

Kathrin Glantschnig (2014)
First principles calculation of optical spectra

Maxim Popov (2013)
The TiO2(100)‖(0001)Al₂O₃ interface: A density-functional study

Hojjat Gholizadeh (2013)
The Influence of Alloying and Temperature on the Stacking-fault Energy of Iron-based Alloys

Christian Meisenbichler (2012)
Optimization and Parallelization of Complex DFT Codes

Stephan Sagmeister (2009)
Excitonic Effects in Solids: Time-Dependent Density Functional Theory versus the Bethe-Salpeter Equation

Dmitrii Nabok (2009)
Cohesive properties of organic crystals and organic/metal interfaces: A density-functional study including van der Waals interactions

Jürgen Spitaler (2005)
Ab-initio calculations of the vanadium ladder structures NaV₂O₅, CaV₂O₅, and MgV₂O₅

Kerstin Hummer (2003) 
On the Electro-optical Properties of Oligo-acenes: An Ab-initio Study

Peter Puschnig (2002)
Excitonic Effects in Organic Semi-Conductors: An Ab-initio Study within the LAPW Method

Heinrich Auer (2001)
Electronic Properties and Raman Spectra of High-T_c Materials: A Theoretical Study within Density Functional Theory

Robert Kouba (2000)
Aspects of Frozen-Phonon Calculations: Theory and Application to High Temperature Semiconductors