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Theory@XFEL — Program

Scientific program

Tuesday, 3 November 2026

TimeSpeakerTalk title / activity
12:30–13:35 Welcome + Coffee Welcome + Coffee
13:35–13:40 Andre GomesUniversity of Lille Welcome from organization
13:40–13:50 Miquel Huix Rotllant, Marie Labeye Presentation of the GDR XFEL
13:50–14:20 Morgane VacherUniversity of Nantes X-ray spectroscopy to probe photo-induced processes in molecules and attochemistry
14:20–14:50 Yorick LassmanUCT Prague A Minimal Model for Simulating X-ray Induced Ultrafast Electron Dynamics in Complex Environments
14:50–15:20 Paul AlbrechtKU Leuven Effects of Nuclear Motion on Molecular HHG Spectra: A Coupled Nuclear-Electron Quantum Dynamics Approach
15:20–15:50 Coffee Break Coffee Break
15:50–16:20 Petr SlavíčekUCT Prague When Agreement Is Not Enough: Theory and Experiment in Ultrafast Molecular Dynamics
16:20–16:50 Woojin ParkTU Dortmund Deciphering the internal conversion and triplet formation in thymine via time-resolved multicenter X-ray photoelectron spectroscopy
16:50–17:20 Francesco SegattaUniversity of Bologna Time-resolved (X-ray) Spectroscopy with COBRAMM: from quantum chemistry to spectra & insight
17:20–17:30 Coffee Break Coffee Break
17:30–18:00 Jakub VokrouhlickyUCT Prague Investigation of Circular Dichroism in amino acids using soft X-ray absorption
18:00–18:30 Lukas KonecnySlovak Academy of Sciences Relativistic calculations of X-ray spectroscopies in ReSpect
18:30 Free time Free time

Wednesday, 4 November 2026

TimeSpeakerTalk title / activity
09:00–09:30 Arjan BergerUniversity of Toulouse Photoemission spectroscopy from the multichannel Dyson equation
09:30–10:00 Fábris KossoskiUniversity of Toulouse Bayesian optimization of non-Hermitian parameters for efficient electronic resonance calculations
10:00–10:30 Thomas JagauKU Leuven Modeling Auger spectra with complex scaling
10:30–11:15 Coffee Break Coffee Break
11:15–11:45 Martin ProcházkaUCT Prague Coherent X-ray Scattering from Solvent-Delocalized States: A Computational Study of Aqueous Iodide
11:45–12:15 Michelangelo TagliaviniEuropean XFEL Ultrafast transient iron Kα RXES of model spin-crossover molecule
12:15–12:45 Oriol VendrellUniversity of Heidelberg Decoherence and core-hole localization following x-ray excitation
12:45–14:15 Lunch Lunch
14:15–14:45 Martin CrhanCharles University, Prague Attosecond time-delays in molecules containing heavy atoms
14:45–15:15 Robert PollyKIT Understanding XANES spectra and RIXS maps of actinides with ab initio calculations
15:15–15:45 Stéphane CarniatoSorbonne University Electronegativity: the art of attracting electrons probed by Resonant Inelastic X-ray Scattering
15:45–16:30 Coffee Break Coffee Break
16:30–17:00 Sarai FolkestadNTNU Trondheim Multilevel coupled cluster theory for X-ray spectroscopy
17:00–17:30 Marc-Alias RodriguezUniversity Rovira i Virgili A computationally efficient method for accurate K-edge X-ray Absorption Spectroscopy. Mixed-reference Spin-Flip Time-Dependent Density Functional Theory
17:30–18:00 Cristina SobrinoUCT Prague Time-resolved X-ray photoelectron spectroscopy of cyclobutanone
19:30 Peniche Archimede Workshop dinner (Façade de l'Esplanade, 59000 Lille)

Thursday, 5 November 2026

TimeSpeakerTalk title / activity
09:00–09:30 Alessandro NicolaouSOLEIL Excitons in hexagonal boron nitride: from equilibrium properties to ultrafast dynamics
09:30–10:00 Laura UrquizaUniversity of Milan Excitons in photodoped hBN: first-principles calculations of pump-probe X-ray spectra
10:00–10:30 David AyusoImperial College London Efficient chiral discrimination with chiral and achiral light: from table-top nonlinear optics to opportunities at XFELs
10:30–11:15 Coffee Break Coffee Break
11:15–11:45 Antonio PicónCSIC From Chemical Shifts to Charge Dynamics: Insights from XFEL-Based Core-Level Spectroscopy
11:45–12:15 Iulia Emilia BrumboiuUniversity of Torun Can resonant inelastic X-ray scattering help elucidate the photodegradation of organic materials used in photovoltaics?
12:15–12:45 Eleonora LuppiSorbonne University Ab Initio Electronic Spectroscopy in Solids: From Optical Excitations to Soft X-Ray Second-Harmonic Generation
12:45–12:50 Closing Closing
12:50–14:00 Lunch box + departure Lunch box + departure