› Modeling diffusion coefficients of dissolved carbon dioxide in Champagne wines by molecular dynamics simulations - Mohamed Ahmed Khaireh, Groupe de spectrométrie moléculaire et atmosphérique
11:00-11:20 (20min)
› Escaping the grain : Atomic-scale simulation of fission gas release in UO2 nuclear fuel - Théo Beigbeder, CEA Cadarache
11:20-11:40 (20min)
› Stability and structure of adaptive molecular self-organized aggregates designed for new artificial water channels. - Arthur Hardiagon, Laboratoire de biochimie théorique [Paris]
11:40-12:00 (20min)
› The role of interactions in ionic current fluctuations and conductivity in nanopores, insights from Brownian dynamics and the stochastic Poisson-Nernst-Planck model - Minh-Thê Hoang Ngoc, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX
12:00-12:20 (20min)
› Spontaneous propulsion of an isotropic colloid in a phase-separating environment - Jeanne Decayeux, PHysicochimie des Electrolytes et Nanosystèmes InterfaciauX
12:20-12:40 (20min)
› How to create Giant Dzyaloshinskii-Moriya interaction? - Nathalie Guihéry, Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes
14:00-14:40 (40min)
› DFT study of the reactivity of molybdenum cluster units at the ground and excited state - Nina Tyminska, Institut des Sciences Chimiques de Rennes
14:40-15:00 (20min)
› Analytical nonadiabatic couplings and gradients on quantum computers: towards excited-state quantum dynamics - Bruno SENJEAN, ICGM, Univ Montpellier, CNRS, ENSCM, Montpellier, France
15:00-15:20 (20min)
› Modeling excited states properties in solid state materials - Camille Latouche, Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3, France
15:20-15:40 (20min)
› Computing low energy excitations in strongly correlated system: RelaxSE - Marie-Bernadette Lepetit, Institut Laue-Langevin, Institut Néel
15:40-16:00 (20min)
› Ab initio simulations of the hydration of organic compounds relevant to atmospheric aerosols - Rodolphe Pollet, 2. NIMBE, CEA, CNRS, Université Paris-Saclay – CEA Saclay Gif-sur-Yvette
16:00-16:20 (20min)
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