Programme

Semaine Mar. 17 Mer. 18 Liste

mardi 17 octobre 2023 ›

09:00

10:00

11:00

12:00

13:00

14:00

15:00

16:00

17:00

18:00

›9:30 (10min)

Discours de bienvenue

›9:40 (2h20)

Communications orales
Claire Lemarchand

9:40 - 12:00 (2h20)

Communications orales

Claire Lemarchand

› Nanoparticles growth mechanisms, morphology and electronic properties - Magali Benoit 09:40-10:20 (40min)

› Mesoscopic simulations of coatings using the electrophoretic process in aqueous suspensions - Mélina NOBLESSE 10:20-10:40 (20min)

› Molecular simulations study of the adsorption dynamics of ions on carbon electrodes - Nicolas Gaudy 10:40-11:00 (20min)

› Dynamics of hydrogen adsorption and dissociation on nitrogen covered tungsten surface - Norhan Omar 11:20-11:40 (20min)

› Theory of Spin Crossover Molecules on Metal Surfaces : the effect of Ligand doping - Rémi Pasquier 11:20-11:40 (20min)

› A system-bath model to investigate the interaction of a molecule with its environment - Loïse Attal 11:40-12:00 (20min)

›12:00 (1h)

Déjeuner

›13:00 (1h)

Posters

›14:00 (2h20)

Communications orales
Benjamin Lasorne

14:00 - 16:20 (2h20)

Communications orales

Benjamin Lasorne

› Theories and simulations of ultrafast processes in molecules - Federica Agostini 14:00-14:40 (40min)

› Non-adiabatic dynamics with trajectory surface hopping: benchmarking electronic structure methods on azomethane photoisomerization - Thomas Papineau 14:40-15:00 (20min)

› Dissociation and isomerization upon ionisation of ethylene: a non-adiabatic dynamics perspective - Lina Fransen 15:00-15:20 (20min)

› An exact factorization perspective on dynamics around conical intersections: On the nature of topological and geometric phases in molecules - Lea Ibele 15:20-15:40 (20min)

› Quantum Dynamics around PPE's conical intersections for spectroscopic and real-time studies - Joachim Galiana 15:40-16:00 (20min)

› Deciphering the Secrets of Madder Molecules through Computational Chemistry - Linh Tran 16:00-16:20 (20min)

›16:20 (20min)

Pause café

›16:40 (1h20)

Communications orales
Pascal Larregaray

Session

Discours

Logistique

Pause

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