DFT Days 2025 - Sciencesconf.org

Semaine Mer. 17 Jeu. 18 Ven. 19 Liste

	Mer. 17	Jeu. 18	Ven. 19
09:00 10:00 11:00 12:00 13:00 14:00 15:00 16:00 17:00 18:00 19:00 20:00 21:00	M. Oettel - Machine learning approaches to (c)DFT 14:00 - 15:00 (1h) M. Oettel - Machine learning approaches to (c)DFT Amphitheatre Martin Oettel L. Belloni - Weighted Density Approximation revisited – Illustration with LJ solvent profiles against hard solutes in subcritical conditions 15:00 - 15:40 (40min) L. Belloni - Weighted Density Approximation revisited – Illustration with LJ solvent profiles against hard solutes in subcritical conditions Amphitheatre Luc Belloni S. Cox - A first-principles approach to electromechanics in liquids 15:40 - 16:20 (40min) S. Cox - A first-principles approach to electromechanics in liquids Amphitheatre S. Cox Pause café 16:20 - 16:40 (20min) Pause café Amphitheatre M. Krueger - Towards an exact dynamical density functional theory 16:40 - 17:20 (40min) M. Krueger - Towards an exact dynamical density functional theory Amphitheatre M. Krueger L. Scalfi - Aqemia: drug discovery using physics and AI 17:20 - 17:40 (20min) L. Scalfi - Aqemia: drug discovery using physics and AI Amphitheatre L. Scalfi Buffet dinner 17:40 - 21:00 (3h20) Buffet dinner Amphitheatre	J. Wu - Neural Operators for cDFT: A New Paradigm for Molecular Modeling 9:00 - 10:00 (1h) J. Wu - Neural Operators for cDFT: A New Paradigm for Molecular Modeling Amphitheatre J. Wu Pause café 10:00 - 10:20 (20min) Pause café Amphitheatre A. Scacchi - Partitioning and phase separation in polymeric mixtures 10:20 - 11:00 (40min) A. Scacchi - Partitioning and phase separation in polymeric mixtures Amphitheatre A. Scacchi D. de las Heras - The intrinsic surface of liquids through unsupervised learning 11:00 - 11:40 (40min) D. de las Heras - The intrinsic surface of liquids through unsupervised learning Amphitheatre D. de las Heras J. M. Lude - Coupling classical and electronic DFT to study the solvation properties of dichloromethane under high pressure 11:40 - 12:00 (20min) J. M. Lude - Coupling classical and electronic DFT to study the solvation properties of dichloromethane under high pressure Amphitheatre J. M. Lude A. El Moumane - Collective diffusion of anisotropic hard-particle mixtures 12:00 - 12:20 (20min) A. El Moumane - Collective diffusion of anisotropic hard-particle mixtures Amphitheatre A. El Moumane Déjeuner 12:20 - 14:00 (1h40) Déjeuner Amphitheatre R. Evans - Learning the bulk and interfacial physics of liquid-liquid phase separation with neural density functionals : what do we understand? 14:00 - 15:00 (1h) R. Evans - Learning the bulk and interfacial physics of liquid-liquid phase separation with neural density functionals : what do we understand? Amphitheatre R. Evans J. Brader - Asymptotic methods for confined fluids 15:00 - 15:40 (40min) J. Brader - Asymptotic methods for confined fluids Amphitheatre J. Brader S. Tschopp - Routes to the density profile and structural inconsistency 15:40 - 16:20 (40min) S. Tschopp - Routes to the density profile and structural inconsistency Amphitheatre S. Tschopp Pause café 16:20 - 16:40 (20min) Pause café Amphitheatre A. Härtel - TBA 16:40 - 17:20 (40min) A. Härtel - TBA Amphitheatre A. Härtel S. Nair - Ions at electrochemical interfaces: from explicit to implicit molecular solvent descriptions 17:20 - 17:40 (20min) S. Nair - Ions at electrochemical interfaces: from explicit to implicit molecular solvent descriptions Amphitheatre S. Nair M. Suetin - Field-Theoretic Modeling of Biomolecular Condensates: Sequence-Specific Insights 17:40 - 18:00 (20min) M. Suetin - Field-Theoretic Modeling of Biomolecular Condensates: Sequence-Specific Insights Amphitheatre M. Suetin Dinner @ Restaurant "Le Palais Gourmand" 19:30 - 21:00 (1h30) Dinner @ Restaurant "Le Palais Gourmand"	E. Giner - A variational formulation of QMMM approach 9:00 - 10:00 (1h) E. Giner - A variational formulation of QMMM approach Amphitheatre E. Giner Pause café 10:00 - 10:20 (20min) Pause café M. Labat - Coupling Molecular DFT with Quantum Methods to Study Electronic Properties in Solution 10:20 - 10:40 (20min) M. Labat - Coupling Molecular DFT with Quantum Methods to Study Electronic Properties in Solution Amphitheatre M. Labat A. Simon - The orientational structure of a patchy particle model fluid 10:40 - 11:20 (40min) A. Simon - The orientational structure of a patchy particle model fluid Amphitheatre A. Simon P. Illien - Non-Gaussian density fluctuations in the Dean-Kawasaki equation 11:20 - 12:00 (40min) P. Illien - Non-Gaussian density fluctuations in the Dean-Kawasaki equation Amphitheatre P. Illien

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