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Theoretical Chemistry Group Heidelberg
2025-2026
2024-2025
2023-2024
Winter semester 2025–2026:
| Date |
Speaker |
Title |
| 11.09.2025 |
Francesco Battistini |
Developing strategies for addressing non-Markovian open system non-adiabatic quantum dynamics |
| 18.09.2025 |
Derik Rochlitzer Puig |
Quantum simulation with Rydberg atoms |
| 30.10.2025 |
Alan |
Electron scattering by benzene molecules |
| 06.11.2025 |
Nils |
Computation of high-lying vibrational eigenstates within the MCTDH framework |
| 13.11.2025 |
Lukas |
Effect of dipole-dipole interactions on the non-adiabatic dynamics in unbound pyridines |
| 20.11.2025 |
Federico |
A brief introduction to time crystals |
| 27.11.2025 |
Alessandro |
Experiment on laser-enabled ICD in the formic acid dimer |
| 04.12.2025 |
Emilio |
Pump-probe spectroscopy at x-ray free-electron lasers: theory and experiment |
| 11.12.2025 |
Niclas |
Cooling down trees for finite-temperature quantum dynamics |
| 15.01.2026 |
Lisa |
Can the upper polariton be used to enhance photoreactivity? |
| 22.01.2026 |
Cameron Hollick |
Characterising the singlet-triplet first excited state energy gap in cyclazine |
| 29.01.2026 |
Hanno Stuntebeck |
Optically induced ring currents |
| 29.01.2026 |
David |
Computational design of Phe-BODIPY fluorogenic blocks for peptide-based detection of urinary infections |
Winter semester 2024-2025:
| Date |
Speaker |
Title |
| 14.11.2024 |
Jaroslav |
Electron transfer mediated decay in NeKr2 |
| 21.11.2024 |
Federico |
Looking for Fano resonances in red-shifted cavities |
| 28.11.2024 |
Daniel |
Building a quantum algorithm for chemical dynamics |
| 02.12.2024 |
Song-Bin Zhang |
UV pulse-induced resonances for controlling photodissociation dynamics |
| 05.12.2024 |
Lisa |
Modification of spin-dynamics through ring-currents |
| 12.12.2024 |
Niclas |
Simulating Shin-Metiu models in a cavity from first principles |
| 09.01.2025 |
Alessandro |
Competition between proton transfer and resonant ICD in the water dimer |
| 16.01.2025 |
Emilio |
Tutorial on MCTDH related tools |
| 06.02.2025 |
David |
The fluxional nature of micro-solvation in acidic solutions |
Summer semester 2024-2025:
| Date |
Speaker |
Title |
| 24.04.2025 |
Jaroslav |
Relativistic ICD |
| 08.05.2025 |
Federico |
Raman processes in red-shifted cavities: from single- to many-modes |
| 15.05.2025 |
Niclas |
Cavity-modified reactivity in the dark: the story so far |
| 22.05.2025 |
Emilio |
Impulsive stimulated X-ray Raman scattering interferometry: theory and application |
| 04.06.2025 |
Leonardo |
Dynamic particle swarm optimization |
| 05.06.2025 |
Hannah Szabo |
Orbital-free DFT |
| 05.06.2025 |
Lisa |
Can the upper polariton act as a doorway state? |
| 12.06.2025 |
Alessandro |
Ultrafast decays through molecular chains |
| 26.06.2025 |
Sudip |
MCTDH-SQR: a Framework for treating Electrons within the MCTDH framework |
| 24.07.2025 |
Leonard Brökner |
Chemistry in a cave: how vibrational strong coupling influences chemical reactivity |
| 25.07.2025 |
Markus |
Calculating vibrational eigenstates using a time-translated basis |
Winter semester 2023-2024:
| Date |
Speaker |
Title |
| 19.10.2023 |
Jing |
Cavity-controlled isomerization of HONO |
| 26.10.2023 |
Federico |
Possible applications of synchronization theory in polaritonic chemistry |
| 02.11.2023 |
Emilio |
Optimizing function parameters using python: from analytical to neural network |
| 09.11.2023 |
Niclas |
Transport processes in cavities |
| 10.11.2023 |
Fabien Gatti |
Quantum description in high dimensionality of scattering of particles from surfaces |
| 16.11.2023 |
Lisa |
Modification of singlet fission dynamics with strong light-matter coupling |
| 23.11.2023 |
Michele Gandolfi |
Investigating dynamic couplings for classical and semiclassical spectroscopy |
| 30.11.2023 |
Yafu Guan |
Non-adiabatic molecular reaction dynamics based on diabatic representation |
| 07.12.2023 |
Daniel |
Machine learning for MCTDH and subspace expansion for quantum computers |
| 14.12.2023 |
Nazanin |
Polariton chemistry in plasmonic cavity: a quantum dynamic approach |
| 25.01.2024 |
Sudip |
An overview of the DMRG method |
| 01.02.2024 |
David |
Optimal mode combination in vibronic coupling Hamiltonians |
| 07.03.2024 |
Johana |
Polariton-driven intramolecular energy redistribution pathways |
Summer semester 2023-2024:
| Date |
Speaker |
Title |
| 15.04.2024 |
Loïse Attal |
A system-bath model to investigate the quantum dynamics of complex or interacting molecular systems |
| 02.05.2024 |
Emilio |
Effect of electronic coherences on conical-intersection dynamics in core-excited states |
| 16.05.2024 |
Federico |
Photodissociation dynamics of NOCl molecules under electronic strong coupling |
| 06.06.2024 |
Daniel |
MCTDH on GPUs with Autodifferentiation |
| 07.06.2024 |
Gopal Dixit |
Valleytronics and valley-transistor in two-dimensional materials |
| 27.06.2024 |
Lisa |
Modification of spin dynamics through ring currents |
| 11.07.2024 |
Niclas |
Quantum dynamics simulation of exciton-polariton transport in an organic microcavity |
| 11.07.2024 |
Emilio |
Effect of attosecond electronic coherences on conical-intersection dynamics in core-excited states |
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