Seminar of the Theoretical Chemistry Groups
The seminar is held every tuesday at 15.00h
During the summer semester in VB N3 in the basement of the main lecture hall building.
During the winter semester in the Physical Chemistry library (A building 3O15).
Future Seminars
WS 2024/2025
| 22.10.2024 | Elena Jahr | |
| 29.10.2024 | Jan-Thore Kahle | Time- and Energy Resolved Spectra of Interparticle Coulombic Decay of Electrons |
| 05.11.2024 | Simon Waidelich | tba |
| 12.11.2024 | ||
| 19.11.2024 | ||
| 26.11.2024 |
| |
| 03.12.2024 | ||
| 10.12.2024 | ||
| 07.01.2025 | ||
| 14.01.2025 | ||
| 21.01.2025 | ||
| 04.02.2025 |
Former seminars
SS 2024
| 16.04.2024 | Alexander Riegel | Moving with the times: A time-resolved pursuit of nuclear dynamics during Resonant Interparticle Coulombic Decay processes |
| 23.04.2024 | Manuel Eder | Analysis of excited many-body states by the Fourier transform of their autocorrelation function |
| 30.04.2024 | Lydia Fichte | Towards Many-Body Dynamics of Spinful Fermions |
| 07.05.2024 | Florian Schweizer | Repulsive interactions of stacked nucleic bases |
| 14.05.2024 | Max Humm | On the Influence of Decay Widths as a Function of Internuclear Distance on Time-Resolved Resonant Interparticle Coulombic Decay Spectra |
| 21.05.2024 |
| |
| 28.05.2024 | Benedikt Leyrer | Ein gutes Maß für die Austauschrepulsionsenergie anhand des Teilchens im Kasten: Dichte- oder Wellen- funktionsüberlappung |
| 11.06.2024 | ||
| 18.06.2024 | Nicolas Sisourat | Interparticle Coulombic Electron Capture |
| 25.06.2024 | Samuel Wagner | Development of a small molecule inhibitor targeting the invasion-mediating pathogenicity factors of Salmonella |
| 26.06.2024 | Giovanni LiManni | as part of the PC seminar |
| 02.07.2024 | Anne Harth | 3-Sideband Rabbitt and Continuum-continuum transitions |
| 09.07.2024 | ||
| 16.07.2024 | Fabian Hofmann | Large scale investigation of Interparticle Coulombic Electron Capture in atom-atom and atom-dimer systems including vibrational modes |
| 17.10.2023 | Elke Fasshauer | How nuclear degrees of freedom influence time-resolved spectroscopy of electronic decay processes |
| 24.10.2023 | Paul Idzko | Work and Free Energy Profiles of Dihedral Rotation Simulations of Small Molecules - |
| 31.10.2023 | Steven Wodrich | On the directionality of intermolecular weak halogen bonds |
| 07.11.2023 | Daniel Kats | Coupled cluster methods for strongly correlated systems |
| 12.12.2023 | Elena Jahr | |
| 16.01.2024 | Marco Ruberti | |
| 30.01.2024 | Marcel Mudrich | |
| 06.02.2024 | Max Nusshör | Investigation of several halogen bonds and the role of the different contributions to the interaction |
SS 2023
| 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 | Atomistic Electric Double Layer Modeling of Water/Metal Interfaces from AIMD simulations |
| 11.07.2023 | Ali Rahmouni | QSAR/QSPR modelling using quantum molecular descriptors |
| 25.07.2023 | bachelor student |
WS 2022/23
| 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 |
29.11.2022 | 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 |
| 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 |
SS 2022
| 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 |
31.05.2022 17.15h | 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 |