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CapZeo2014 Program Rabat, June 9-12, 2014 Monday,June 9: Afternoon : 9h30 10h15 Reception of the participants and display of posters Opening session, Introduction lecture G.Chambaud: “Theoretical Approaches from Alchemy to atom chemistry” 12 h 30 Lunch 14 h 30 Standard Ab Initio Methods (M. Hochlaf, R. Linguerri ) Introduction to Molpro Tuesday, June 10: 9h30 10h30 Theoretical scpectroscopy ( M.L. Senent) From Classical to Quantum Density Functional Theory(D.Borgis) 12h30 14h30 Lunch Practical exercises Introduction Gaussian Molecular DFT:Geometry optimization, frequency calculations, (O.Kabbaj,N.Komiha,K.Marakchi, H. AbouEl Makarim) Afternoon Wednesday, June11: 9h30 10h30 12h 12h 30 Afternoon : 14h 30 Thursday, June 12: 9h 30 Complex systems study (F.X Coudert) Practical exercises(theoretical spectroscopy) Posters session Lunch Practical exercises(complex systems) Hartree-Fock and DFT calculations for solids with CP2K (D.Benoit) Morning : 10h 30 12h 30 Afternoon : Dynamic simulations V.Timon Lunch 14h 30 Practical exercises(solid states+Dynamic simulations) 17h Closing Session