Programme

lundi 30 mai 2022

Heures événement (+)
09:30 - 10:00 Accueil et café/thé (Hall Physique)  
10:00 - 10:50 The stressed solvent: THz calorimetry probing the solvent in action (Salle E244) - Martina Havenith  
10:50 - 11:15 Second harmonic scattering: access to the orientational structure of water (Salle E244) - Julien Duboisset  
11:15 - 11:40 How to interpret the Second Harmonic Scattering of liquid water? (Salle E244) - Guillaume le Breton  
11:40 - 12:05 Horizontal and vertical orders of water at mineral interfaces: a new paradigm for the BIL structural organization (Salle E244) - Marie-Pierre Gaigeot  
12:05 - 12:30 Towards a microscopic understanding of underscreening in concentrated electrolytes: Effects of confinement and composition fluctuations (Salle E244) - Jeongmin Kim  
12:30 - 14:00 Déjeuner  
14:00 - 14:50 Continuum solvation models for electronic dynamics and excitations in molecular solutes (Salle E244) - Stefano Corni  
14:50 - 15:15 Tuning the optical properties of nanoconfined chromophores: a molecular understanding of environment effects (Salle E244) - Abderrahmane Semmeq  
15:15 - 15:40 Coupling electronic and molecular Density Functional Theory (Salle E244) - Guillaume Jeanmairet/Daniel Borgis  
15:40 - 16:05 Adsorption of ions and hydrophobic solutes at an electrified Au-water interface: insights from THz spectroscopy and simulations - Simone Pezzotti  
16:05 - 16:35 Pause café (Hall Physique)  
16:35 - 17:00 Electron Transfer of Functionalized Quinones in Acetonitrile (Salle E244) - Tzu-Yao Hsu  
17:00 - 17:25 Transport properties and ion aggregation of SBPBF4 in acetonitrile solutions: experiment vs. molecular modelling (Salle E244) - Oleg Kalugin  
17:25 - 18:15 Round table: The future of SolVATE (Salle E244) - All  
18:45 - 21:00 Dîner buffet (Hall Physique)  

mardi 31 mai 2022

Heures événement (+)
09:00 - 09:50 Electrons in Liquid Ammonia and in Water: From Blue Electrolytes to Golden Metals (Salle E244) - Pavel Jungwirth  
09:50 - 10:15 Toward a molecular picture of thermophoresis in dilute aqueous solutions (Salle E244) - Guillaume Stirnemann  
10:15 - 10:40 Origin of the second harmonic generation signal at the water-air interface (Salle E244) - Jean-François Dufrêche  
10:40 - 11:10 Pause café (Hall Physique)  
11:10 - 11:35 Hydration dynamics of nucleic acids: molecular origin of the heterogeneity and sequence dependence (Salle E244) - Elise Duboué-Dijon  
11:35 - 12:00 Molecular dynamics simulation study of the association modes between calcium and polygalacturonate (Salle E244) - Adrien Lerbret  
12:00 - 12:25 Solubilization of aromas by cyclic and acyclic dextrins based DES: A comparative study (Salle E244) - Sophie Fourmentin  
12:25 - 13:30 Déjeuner (Hall Physique)  
13:30 - 14:20 What circular dichroism spectroscopy teach us about solvation (Salle E244) - Anne Zehnacker  
14:20 - 14:45 Tuning the properties of ionene-based hydrogels via counterion specific effects (Salle E244) - Natalie Malikova  
14:45 - 15:10 Quadrupolar NMR relaxation for ions in aqueous solutions from classical molecular dynamics (Salle E244) - Iurii Chubak  
15:10 - 15:35 Structure and dynamics of an excess proton in water: a neural network force-field study (Salle E244) - Axel Gomez  
15:35 - 16:00 Transmembrane electron transfer in NADPH Oxydase (Salle E244) - Fabien Cailliez  
16:00 - 16:25 Diastereoselectivity in Diels-Alder reactions in solution + CECAM words (Salle E244) - Riccardo Spezia  
16:25 - 16:35 Closing words (Salle E244) - Francesca Ingrosso  
  
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