Institut für Physikalische und Theoretische Chemie

Seminar of the Theoretical Chemistry Groups

The seminar is held every tuesday at 15.00h in VB N3 located in the basement of the main lecture hall building.

18.04.2023 Johannes Henrichsmeyer Analytical considerations on the Pauli exchange repulsion
25.04.2023 Stefanie Gräfe Plasmonic hybrid systems in external light fields: from high-resolution sensing to plasmonic catalysis
09.05.2023 Reinhold Fink Point Group Symmetry in a nutshell
A group theory crash course for chemists


13.06.2023 Manuel Eder Electron Transfer between Crystallized Clusters - A Model Approach
27.06.2023 Sung Sakong


11.07.2023 bachelor student


18.07.2023 Jongmin Kim  
25.07.2023 bachelor student  

Future Seminars

Former seminars

18.10.2022 Michael Thelen Rethinking Repulsive Forces in Terms of Orbital-Orbital Contributions
25.10.2022 Catia Harnack  
08.11.2022 Chris Steve Conrad Energy transport calculations for lanthanide-doped upconverting nanoparticles


Mariam Fadel Understanding parallel-displaced minimum structures of partially fluorinated benzene dimers
06.12.2022 Stefan Teufel The Born-Oppenheimer approximation from a mathematician's point of view
13.12.2022 Lars Bojer Madsen Atoms, molecules, and solids in intense laser pulses of short duration: Towards time-resolved electron dynamics
10.01.2023 Thomas Jagau Describing unbound electrons by complex-valued energies
17.01.2023 Peter Schwerdtfeger

From Lennard-Jones to Max Born, Erwin Madelung, Adolf
Hurwitz, and Paul Epstein: A Mathematical Journey through
Lattices, Lattice Sums and Phase Transitions

17.01.2023 Peter Schwerdtfeger When Gold Meets Relativity
24.01.2023 Volker Staemmler

The origin of the rotational barrier of ethane

31.01.2023 Alexander Riegel Excess Spin Distribution and the Thermodynamics of Defect Formation in Transition Metal Oxides
07.02.2023 Chris Steve Conrad Energy Transport in Upconversion Nanoparticles
26.04.2022 Stefan Behnle The Orbital Optimized REMP Hybrid Perturbation Theory -
Accurate Thermochemistry and Structures from 2nd Order PT
03.05.2022 Reinhold Fink How do molecules cuddle? - Skipped
10.05.2022 Alicia Palacios Controlling attosecond electron dynamics in atoms and small molecules with XUV-XUV pump-probe spectroscopy
17.05.2022 Mats Simmermacher An Introduction to the Theory of Ultrafast X-Ray Scattering
24.05.2022 Holger Euchner Modeling electrochemical systems by density functional theory: Batteries and beyond



Henrik R. Larsson (online) Molecules in quantum motion -- Tensor network states for vibrational and electronic wavefunctions
14.06.2022 -  
21.06.2022 Benjamin Pölloth Computational Chemistry in High School - A Chance to Foster Knowledge on Energy?
28.06.2022 Marc Edelmann Validation of the S2REMP-Method
05.07.2022 Gurli Schuster

Investigation of Electronic Decay Processes with Streaking

12.07.2022 Amel Bendimred and Djamil Maouene Explaining the Exchange Repulsion in Charge Tranfer Salts with Molecular Orbitals
19.07.2022 Cheyenne Dell'Ermo Additivity of Repulsive Forces in Diels-Alder reactions
26.07.2022 Majda Sekkal Rahal DFT calculations of nonlinear optical response of polymer materials