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  
CNRS CCSD Sciencesconf