News
People currently working in our group:
Bachelor's Dissertations
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