Planning

Week Sun. 17 Mon. 18 Tue. 19 Wed. 20 Thu. 21 Fri. 22 List

	Sun. 17	Mon. 18	Tue. 19	Wed. 20	Thu. 21	Fri. 22
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 22:00	Welcome Desk 17:00 - 20:00 (3h) Welcome Desk Welcome Desk and Keys	Introduction to Jupyter Notebooks 9:00 - 10:30 (1h30) Introduction to Jupyter Notebooks Espace Pouillon Coffee break 10:30 - 11:00 (30min) Coffee break Hartree–Fock (1) 11:00 - 12:30 (1h30) Hartree–Fock (1) Espace Pouillon Lunch 12:30 - 14:00 (1h30) Lunch Espace Pouillon Hartree-Fock (2) 14:00 - 15:00 (1h) Hartree-Fock (2) Espace Pouillon Density Functional Theory (1) 15:00 - 16:00 (1h) Density Functional Theory (1) Espace Pouillon Coffee break 16:00 - 16:30 (30min) Coffee break Espace Pouillon Density Functional Theory (2) 16:30 - 17:30 (1h) Density Functional Theory (2) Espace Pouillon Dinner 19:00 - 22:30 (3h30) Dinner	Electronic correlation, 2-particles density 9:00 - 10:30 (1h30) Electronic correlation, 2-particles density Espace Pouillon Coffee break 10:30 - 11:00 (30min) Coffee break MCSCF 11:00 - 12:30 (1h30) MCSCF Espace Pouillon Lunch 12:30 - 14:00 (1h30) Lunch Structure optimization and vibrational spectroscopy (1) 14:00 - 16:00 (2h) Structure optimization and vibrational spectroscopy (1) Espace Pouillon Coffee break 16:00 - 16:30 (30min) Coffee break Espace Pouillon Structure optimization and vibrational spectroscopy (2) 16:30 - 17:30 (1h) Structure optimization and vibrational spectroscopy (2) Espace Pouillon Free Dinner 17:30 - 22:30 (5h) Free Dinner	Force fields and re-parametrization 9:00 - 10:30 (1h30) Force fields and re-parametrization Espace Pouillon Coffee break 10:30 - 11:00 (30min) Coffee break Conformational search, QM/MM, environment 11:00 - 12:30 (1h30) Conformational search, QM/MM, environment Espace Pouillon Lunch 12:30 - 14:00 (1h30) Lunch Force Fields parametrization with Neural Network Potentials 14:00 - 15:30 (1h30) Force Fields parametrization with Neural Network Potentials Espace Pouillon Coffee break 15:30 - 16:00 (30min) Coffee break Free energy sampling methods 16:00 - 17:30 (1h30) Free energy sampling methods Espace Pouillon School Dinner 19:00 - 22:30 (3h30) School Dinner	Introductin to aromaticity: NICS(1), IMS2D, IMS3D 9:00 - 10:30 (1h30) Introductin to aromaticity: NICS(1), IMS2D, IMS3D Espace Pouillon Coffee break 10:30 - 11:00 (30min) Coffee break Introductin to aromaticity: NICS(1), IMS2D, IMS3D 11:00 - 12:30 (1h30) Introductin to aromaticity: NICS(1), IMS2D, IMS3D Espace Pouillon Free afternoon and Free Dinner 12:30 - 22:30 (10h) Free afternoon and Free Dinner	Introduction to electronic spectroscopies, UV-Vis, ECD 9:00 - 10:30 (1h30) Introduction to electronic spectroscopies, UV-Vis, ECD Espace Pouillon Coffee break 10:30 - 11:00 (30min) Coffee break Conformationally averaged spectra 11:00 - 12:30 (1h30) Conformationally averaged spectra Espace Pouillon

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