Monday, June 2, 2025
Time | Event | (+) |
09:30 - 10:15 | Localized Surface Plasmon Resonance in Noble Metal Nanoclsuters: Insights from Electronic Structure Approaches (Amphithéâtre Jean Jaurès) - Eric Bremond | |
10:15 - 10:45 | Coffee break | |
10:45 - 11:05 | High-Pressure Response of the Coupled Dynamics of Lipids and Membrane Protein in Infinite Bilayer and Nanodisc (Amphithéâtre Jean Jaurès) - Yanna Gautier | |
11:05 - 11:25 | Hydrogen Sticking Dynamics on Graphene Surface - Mukul Dhiman | |
11:25 - 11:55 | In search of lost colours though computational chemistry (Amphithéâtre Jean Jaurès) - Thanh Huyen Linh Tran | |
11:55 - 14:00 | Lunch | |
14:00 - 14:20 | Simulating Ultrasound-Responsive Microbubble Dynamics for Opening Biological Barriers (Amphithéâtre Jean Jaurès) - Phuong Nguyen | |
14:20 - 14:40 | Understanding the Molecular Bases and Specificity of OAS/RNAse L Pathway Activation by Viral RNA in Immune Response (Amphithéâtre Jean Jaurès) - Emma Jung-Rodriguez | |
14:40 - 15:00 | Neural Network-based simulations of acidity at the air-water interface (Amphithéâtre Jean Jaurès) - Miguel de la Puente | |
15:00 - 15:20 | Molecular mechanism of latent allostery in DHFR - Paul Guénon | |
15:20 - 15:50 | Coffee break | |
15:50 - 16:10 | Multiple strain-induced topological phase transitions in 1D polyacene polymers: A first-principles study (Amphithéâtre Jean Jaurès) - Mohammadreza Mosaferi | |
16:10 - 16:30 | Multiscale Simulations to Unveil the Role of Divalent Cations in Ribozyme Catalysis - Laetitia Kantin | |
16:30 - 16:50 | Impact of Ruxolitinib Interactions on JAK2 JH1 Domain Dynamics (Amphithéâtre Jean Jaurès) - Hong-Nhung Vu | |
16:50 - 17:10 | Estimating Timescales in the Nonequilibrium Steady State: Application to Molecular Isomerization in Nature (Amphithéâtre Jean Jaurès) - Loïc Joubert-Doriol |
Tuesday, June 3, 2025
Time | Event | (+) |
09:30 - 10:15 | Simulating divalent-ion rich nucleic acid systems: force field refinement and sampling strategies (Amphithéâtre Jean Jaurès) - Elise Dubué-Dijon | |
10:15 - 10:45 | Coffee break | |
10:45 - 11:05 | Nonlocal dielectric properties of water: the role of electronic delocalisation - Hélène Bertomieux | |
11:05 - 11:25 | Predictive Quantitative Non-Covalent Interaction Index (Amphithéâtre Jean Jaurès) - Katarzyna Zator, | |
11:25 - 11:55 | Role of Magnesium Ions in the Catalysis of Key Prebiotic Reactions (Amphithéâtre Jean Jaurès) - Olaia Anton | |
11:55 - 14:00 | Lunch | |
14:00 - 14:20 | Modeling the Vibrational Circular Dichroism spectroscopy of Phenylcyclohexanediol and Ionic Liquids to probe solvation properties (Amphithéâtre Jean Jaurès) - Emeline Boyer | |
14:20 - 14:40 | Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications - Maxime Ferrer | |
14:40 - 15:00 | Thermodynamic Insights into the Self-assembly of Zeolitic Imidazolate Frameworks from Computer Simulations (Amphithéâtre Jean Jaurès) - Emilio Mendez | |
15:00 - 15:20 | Towards the prediction of novel biogenic crystals and co-crystals with target properties (Amphithéâtre Jean Jaurès) - Parfaite Senou | |
15:20 - 15:50 | Coffee break | |
15:50 - 16:10 | Functionalization of Graphene Surface to Detect Guanine Quadruplexes, an In Silico Study (Amphithéâtre Jean Jaurès) - Aurianne Rainot | |
16:10 - 16:30 | When the partner matters. Effects of counterions on photophysics. (Amphithéâtre Jean Jaurès) - Elise Lognon | |
16:30 - 16:50 | Characterization of the plasmonic properties of metallic nanoclusters (Amphithéâtre Jean Jaurès) - Alexandre Rada | |
16:50 - 17:10 | Theoretical description of ultrafast processes in strong laser fields (Amphithéâtre Jean Jaurès) - Marie Labeye |