News
People currently working in our group:
Master's Dissertations
Seokhyun Hong (2025)
Efficient calculation of optical spectra of materials with strong spin-orbit coupling
Mara-Antonia Voiculescu (2025)
Exploiting Symmetry in the (L)APW+LO Method
Fabian Nemitz (2025)
Effects of Exchange-Correlation Functionals on Magnetic Properties of Cobalt and La2CuO4 in an All-Electron Framework
Elias Richter (2025)
Time-Resolved Resonant Inelastic X-ray Scattering of Graphite from First Principles
Noa_h Dasch (2025)
Oxygen vacancy ordering in YBa2Cu3O6+x: An ab initio study using cluster expansion
Hannah Kleine (2024)
Implementation of the Sternheimer equation in the GW approximation
Elisa Stephan (2024)
Implementation of Meta-GGA Functionals in the All-Electron Linearized Augmented Plane Wave Code exciting
Kshitij Sinha (2024)
Electronic Structure of Oxides and Perovskites: A Benchmark Database
Paritosh Singh (2023)
Investigating the impact of Gold substrate on Molybdenum Disulfide
Ben Alex (2023)
Efficient Screening in Many-Body Calculations for Low-Dimensional Materials
Antonio Cillis (2023)
Hybrid functionals in real-time time-dependent density functional theory: implementation in the exciting package
Adrian Stroth (2023)
Combining Cluster Expansion with Machine Learning Towards Nonlinear Modeling of Materials Properties
Tim Bechtel (2022)
Predicting Band Gaps and Formation Energies of Solids Using Message Passing Neural Networks
Juliane Mörsel (2022)
MoS2 on gold substrate
Rémi Lierdeman (2021)
Using hybrid functionals to investigate MoS2 and adsorbed organic molecules
Max Schebek (2021)
Impact of electron-phonon interactions on excitons in polar crystals: A first-principles study
Benedikt Maurer (2020)
Rashba and Dresselhaus Effect in Two-dimensional Perovskite Model Systems
Rouven Koch (2019)
Ab initio investigation of first-order Raman scattering in gallium oxide
Axel Hübner (2019)
Vertex correction to the electron-phonon interaction in the homogeneous electron gas
Tim Klose (2018)
Ab-initio investigation of the elastic behavior of the ternary compounds CxSiyGe1−x−y in the cubic phase
Sven Lubeck (2018)
Accelerating GW Calculations within the LAPW Framework
Sebastian Tillack (2018)
Implementation and Application of Maximally Localized Wannier Functions within the (L)APW+lo Method
Eric Pierschel (2018)
Structural Relaxation of Molecular Angles under Pressure
Martin Kuban (2017)
Ab-initio study of the thermoelectric clathrate Ba8NixGey−x (x = 0 - 6, y = 44 - 46): Ground states and electronic properties
Konstantin Lion (2017)
X-Ray Absorption Spectroscopy of Oligothiophene Crystals from Ab-Initio Many-Body Theory
Benjamin Aurich (2017)
Bethe-Salpeter equation formalism beyond the Tamm-Dancoff approximation and zero momentum transfer
Christian Vorwerk (2016)
All-Electron Many-Body Approach to X-Ray Absorption Spectroscopy
Albin Hertrich (2016)
Ab-initio calculation of Raman spectra of graphene-based materials
Bernhard Klett (2015)
First-principles study of α-sexithiophene polymorphs: Cohesive energies and transition paths
Maria Troppenz (2015)
Structural stability and electronic properties of the thermoelectric clathrates Ba8AlxSi46−x and Sr8AlxSi46−x
Olga Turkina (2013)
Optical excitations in rutile and anatase TiO2 investigated by many-body perturbation theory