Download Rabat, June 9-12, 2014

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