Rencontres de Chimie Physique 2025

8:30 - 9:00 (30min)

Prix de Thèse - Design of magnetic iron oxide/graphene based nanomaterials for the efficient and selective removal of polycyclic aromatic hydrocarbons from the environment

Joana VAZ RAMOS

9:00 - 10:15 (1h15)

Chimie Physique

› Simulation of a vibrational spectrum within a Quantum Computing framework - Joachim KNAPIK 09:00-09:15 (15min)

› Structure and dynamics in Surfactant-free microemulsions. - Marie PLAZANET 09:15-09:30 (15min)

› Electrochemical study of bio-polymer lignin: modification and valorization - Syed NOMAN 09:30-09:45 (15min)

› Diffusion of selenide in clay rock: an experimental journey at the crossroads between environmental sciences and radiochemistry. - Romain V. H. DAGNELIE 09:45-10:00 (15min)

› Direct time-resolved study of the interfacial reaction mechanism of metal-based catalysts in the CO2 conversion - Zhiwen JIANG 10:00-10:15 (15min)

10:15 - 10:45 (30min)

Pause + Posters

10:45 - 11:15 (30min)

Conférence invitée - Quantum‑Chemical Insights into Actinide Bonding and Spectroscopy: 5f/6d Orbital Contributions, Spectral Signatures, and Volatility

Valérie VALLET

11:15 - 12:30 (1h15)

Chimie Physique

› Modeling Water Clusters with Deep Neural Network Potentials - Maïa COURTIEL 11:15-11:30 (15min)

› Molecular Investigation of the Interaction of Fluorescent Probes with Early Protein Aggregates - Marium HAQ 11:30-11:45 (15min)

› Biomass conversion to added value products under Visible light excitation of Metal Halide Perovskites supported hollow spheres - Thi Hieu HOANG 11:45-12:00 (15min)

› Elucidating the complex photophysics of luminescent donor-acceptor keto-coumarins - Peter McDONALD 12:00-12:15 (15min)

› Experimental study on the uptake of gaseous molecular iodine by atmospheric droplets - Enida NUSHI 12:15-12:30 (15min)

12:30 - 14:00 (1h30)

Déjeuner & Discussions

14:00 - 14:30 (30min)

Prix Jeune Chercheur - Deciphering the synthesis, formulation and alteration of historical pigments at the multi-scale

Victor GONZALEZ

14:30 - 15:45 (1h15)

Chimie Physique

› Raman Optical Activity and ECD-Raman in Chiral Transition Metal Complexes - Maria Sara RAJU 14:30-14:45 (15min)

› Tautomerism and Conformational Effects in Protonated and Copper(I)-Coordinated Bis(oxazoline) Ligands: Insights from IRMPD Spectroscopy and DFT - Alexandra TSYBIZOVA 14:45-15:00 (15min)

› Modeling the Vibrational Circular Dichroism spectroscopy of Phenylcyclohexanediol and Ionic Liquids to probe solvation properties - Emeline BOYER 15:00-15:15 (15min)

› Advanced modelling of nonlinear optoelectronic properties of functionalized CdTe quantum dots using machine learning combined with DFT - Justin GRILL 15:15-15:30 (15min)

› Production and study of model nanoplastics by top-down and bottom-up methods for environmentally relevant studies - Olivier SANDRE 15:30-15:45 (15min)

15:45 - 16:15 (30min)

Pause

16:15 - 16:45 (30min)

Conférence invitée - How the behavior of water and ions in confinement explains the evolution of nanoporous materials in solution

Diane REBISCOUL

16:45 - 17:45 (1h)

Chimie Physique

› Accelerating the Structure Exploration of Diverse Bi–Pt Nanoclusters via Physics-Informed Machine Learning Potential and Particle Swarm Optimization - Raphaël VANGHELUWE 16:45-17:00 (15min)

› Experimental Characterization and Theoretical Modelling of X-ray Absorption Spectra of Protactinium(V) Complexes - Tamara SHAABAN 17:00-17:15 (15min)

› Electrochemical Analysis by mass spectrometry to study furfural reduction reactivity - Essyllt LOUARN 17:15-17:30 (15min)

› Electrostatically Embedded QM/MM Study of the Potential-Dependent Reorientation of Pyridine on Au(111) - Mingjun GU 17:30-17:45 (15min)

17:45 - 19:00 (1h15)

Session Posters

Posters

19:30 - 21:00 (1h30)

Dîner de Gala