Rapport Sémestriels
Semestre 1 (PDF)
Semestre 2 (PDF)
Semestre 3 (PDF)
Workshop Biarritz Sept. 2008
New Features in DL_Poly: electronic transitions and free energy calculations (PPT)
Direct solution of TDDFT linear response - status, Dietrich Foerster (PPT)
NOSSI, Isabelle Baraille (PPT)
Calculation of molecular spectra with product basis set, Peter KovalPDF)
Premiers Résultats, Pierre Fayon (PPT)
New force field for silica, Patrice Bordat (PPT, MPG)
Progress TDDFT LR, Peter Koval (PDF)
Poster GSO (PDF)
GDR-DFT Dourdan
Molecular spectra, Dietrich Foerster, Peter Koval (PDF)
Page 1 (PDF)
Page 2 (PDF)
Evaluation mi-parcours, Sept. 2009
Exposé (PDF)
Workshop Biarritz Oct. 2009
DL_POLY 4: High Performance Molecular Dynamics, W. Smith (PDF)
MonIQA: Monitoring graphic user Interface for QM/MM applications: State of the work, Damien Genet (PDF)
Siesta 3.0, Daniel Sanchez (PDF)
Extension of LCAO to excited states, Peter Koval (PDF)