News
People currently working in our group:
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-Tc Materials: A Theoretical Study within Density Functional Theory
Robert Kouba (2000)
Aspects of Frozen-Phonon Calculations: Theory and Application to High Temperature Semiconductors