LCQS informal workshop on photochemistry and related topics
Celebrating Chantal Daniel’s scientific achievements and her commitment to science
Thursday, June 19, 2025
Venue: Amphi Fischer, Faculté de Chimie de Strasbourg
Purpose of the workshop:
Modelling photochemical processes is challenging from both electronic and nuclear perspectives. This informal workshop aims at sharing our recent progress on both aspects (and related topics) and to hopefully stimulate new developments and applications. The tentative program is as follows. Each talk consists of 25 minutes of presentation and 5 minutes of questions/discussion.
Most importantly, this workshop gives us the opportunity to celebrate the scientific achievements of our colleague Chantal Daniel and her unwavering commitment to the lab and her scientific community. Thank you Chantal!
Program:
**Morning session**
09:15 – 09:30 Welcome
Chair: Roberto Marquardt
09:30 – 10:00 Chantal Daniel, LCQS
Photophysics and Excited State Dynamics of Square Planar Complexes: from 3rd- to 1st-row Transition Metals
10:00 – 10:30 Jörn MANZ, Freie Universität Berlin, Germany
Big quantum effects in small molecules
10:30 – 11:00 coffee break
Chair: Jérémie Léonard
11:00 – 11:30 Lucien Dupuy, LCQS
Getting photodynamics right and fast: Exact Factorization-based Surface Hopping without velocity rescaling and simulation speed-up through Machine Learning
11:30 – 12:00 Emmanuel Fromager, LCQS
Molecular Kohn-Sham density functional theory
12:15 – 14:00 lunch at the restaurant “le 32”
**Afternoon session**
Chair: Lucien Dupuy
14:00 – 14:30 Horst KÖPPEL, Universität Heidelberg, Germany
title to be announced
14:30 – 15:00 Jérémie Léonard, IPCMS, Strasbourg
Towards a rational chemical design for efficient C=C double bond photoisomerization
15:00 – 15:30 Roberto Marquardt, LCQS
Quantum dynamical modelling of time-dependent emission and absorption spectra during a C=C photoisomerization
15:30 – 16:00 coffee break
Chair: Emmanuel Fromager
16:00 – 16:30 Saad Yalouz, LCQS
Polaritonic Chemistry with Quantum Computing: Which Architecture is Optimal?
16:30 – 17:00 Oussama Bindech, LCQS
State-specific iterative decoupling scheme using perturbation theories for spectroscopy
17:00 – 17:30 Concluding remarks
19:30 – … Workshop diner at the restaurant “Le Pont St Martin”
