Planning
| 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 |
|
| 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 |
|
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