Bachelor's Dissertations

Lukas Uihlein (2026)
Linearisation energies in the LAPW method: Optimizing species files for elemental crystals in exciting

Joris Prinz (2026)
Implementation of Spin-polarized Maximally Localized Wannier Functions Within the LAPW+LO Method

Henry Herrmann (2026)
Berechnung der elastischen Konstanten zweiter Ordnung von Perovskiten 

Jan Stutz (2025)
Visualization of Fermi Surfaces for Large-Scale Databases

Tim Heinl (2024)
Investigation of the lattice dynamics of Ge and LiF using the linear-response approach implemented in the exciting code

Sopio Bregadze (2024)
Predicting the convergence behaviour of electronic structure calculations

Samuel Bächli (2024)
Implementing Third-Order Elastic Coefficients in ElaStic

Nikita Winter (2024)
Benchmarking the Linear and non-Linear Elastic Properties of Group-III Nitrides

Marten Pretorius (2024)
Superconductivity in MgB₂ combining Eliashberg theory with density-functional theory based methods

Louis Böhm (2024)
Reconstructing crystal structures from global SOAP descriptors

Gerome Speth (2024)
Ab-Initio Investigation of Mechanical Stability and Phase Transitions of Scandium Nitride

Šimon Gabaj (2021)
Electronic density-of-states fingerprints for similarity analysis

Jessica Richter (2021)
Density-Based Mixing Method for Hybrid Functionals in an All-Electron Framework

Hannah Kleine (2021)
Improved Basis Sets in the Linearized Augmented Planewaves plus Local Orbitals Method

Robin Aydinonat (2020)
Optoelectronic properties of monolayer molybdenum disulphide with sulfur vacancies

Peter Weber (2019)
Elastic and lattice-dynamical properties of titanium-based compounds

Patrick Dieu (2019)
Brillouin-Zone-Integration mit adaptiven Gittern

Clara Wassner (2018)
Importance of the Coulomb truncation technique in GW calculations

Marcus Fenner (2016)
Ab Initio Calculations of the Stoichiometric Rutile (110) Surface

Konstantin Lion (2016)
Ab-Initio Elasticity of the α and β Phase of Ga₂O₃

Axel Hübner (2016)
Cross-Validation in Cluster-Expansions: Exploiting the Hat-Matrix-Formalism

Sven Lubeck (2015)
Long-Range Dispersion Corrections to Density-Functional-Theory Calculations: Implementation and Applications

Philipp Häffner (2014)
Adsorption of Azobenzene on Graphene: A first-principles study

Christian Vorwerk (2013)
Influence of Local Orbitals on G₀W₀-bandgap calculations: Example of Magnesium Oxide