GDR Meeting 2013 Program

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Schedule

Wednesday 27 November Jussieu campus, Esclangon building, Amphi Durand	Thursday 28 November Jussieu campus, Esclangon building, Amphi Durand	Friday 29 novembre Jussieu campus, Esclangon building, Amphi Durand
8:30-9:00 Welcome
Chair: Andreas Savin 9:00-10:30 Evert Jan Baerends	9:00-9:25 Jean-Paul Malrieu 9:25-9:50 Emmanuel Giner 9:50-10:15 Mario Dagrada	9:00-9:25 Daniel Borgis 9:25-9:50 Andre Gomes 9:50-10:15 Antoine Marion
10:30-10:45 Coffee break	10:30-10:45 Coffee break	10:30-10:45 Coffee break
Chair: Michel Caffarel 10:45-12:15 Garnet Chan	10:45-11:10 Matthieu Saubanère 11:10-11:35 Noura Khemiri 11:35-12:00 Asma Marzouk	10:45-11:10 Bernard Amadon 11:10-11:35 Thomas Ayral 11:35-12:00 Giovanna Lani 12:00-12:25 Vita Ilakova
12:15-14:15 Lunch: Buffet (Esclangon cellars)	12:00-14:00 Lunch: L'ardoise (Jussieu, Tower 25) (Meeting of GDR office during lunch)
Chair: Chantal Daniel 14:15-15:45 Jürgen Gauss	14:00-14:25 Dario Rocca 14:25-14:50 Bastien Mussard 14:50-15:15 Elisa Rebolini
15:45-16:00 Coffee break	15:15-17:00 Posters + coffee (Esclangon cellars)
Chair: Peter Reinhardt 16:00-17:30 Christian Ochsenfeld	17:00-17:25 Alexandrina Stoyanova 17:25-17:50 Odile Franck 17:50-18:15 Lucas Baguet
20:00 Dinner

Program

Overview lectures (Wednesday)

• Evert Jan Baerends, Perspectives on density-functional theory and density-matrix functional theory
• Garnet Chan, Perspectives on strongly correlated electrons
• Jürgen Gauss, Perspectives on coupled-cluster methods
• Christian Ochsenfeld, Perspectives on correlated linear-scaling methods

Short presentations (Thursday and Friday)

• Jean-Paul Malrieu, A multi-state multi-reference coupled cluster formalism
• Emmanuel Giner, Fonctions d’onde multi-déterminantales sélectionnées pour les calculs Monte Carlo quantique
• Mario Dagrada, Quantum Monte Carlo study of protonated water dimer
• Matthieu Saubanère, Numerical correlation-energy functional for lattice density-functional theory: A systematic approach to the ground-state properties of strongly correlated systems
• Noura Khemiri, Etude DFT et multi configurationelle de la spectroscopie et de la fragmentation du cation de la benzophénone
• Asma Marzouk, L'approche Broken Symmetry dans le formalisme UDFT : prise en compte de la corrélation statique
• Dario Rocca, Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: Theory and applications to the benzene dimer
• Bastien Mussard, Analytical gradients of random phase approximation correlation energies in range-separated-hybrid context: Theory and implementation
• Elisa Rebolini, Noyau de corrélation Bethe-Salpeter dépendant de la fréquence pour le calcul des énergies d’excitation en TDDFT
• Alexandrina Stoyanova, On the combination of range-separated density-functional perturbation theory with optimized effective potential techniques
• Odile Franck, Connexion adiabatique généralisée pour un ensemble d’états excités partiellement occupés : exemple de H2
• Lucas Baguet, Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions
• Daniel Borgis, Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique
• Andre Gomes, Towards systematically improvable models for heavy elements in condensed phase with frozen density embedding
• Antoine Marion, An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems
• Bernard Amadon, Calculation of screened coulomb interaction in strongly correlated f electron solids
• Thomas Ayral, Local and nonlocal correlations in strongly correlated systems: Insights into two-dimensional systems of adatoms on surfaces from self-consistently combined GW and dynamical mean field theory
• Giovanna Lani, Determination of the One-particle Green's Function: Freedom and Constraints
• Vita Ilakovac, Spins and charges in Sr14Cu24O41

Posters (Thursday) - to be completed

• Franck Rabilloud, Description of plasmon-like band in silver clusters: the importance of long-range Hartree-fock exchange in TDDFT calculations
• Thomas Applencourt, Le calcul des forces en Monte carlo quantique
• Oleksandr Kurakevych, Superhard and semiconductive compounds discovered by the ab initio-assisted high-pressure synthesis
• Nicolas Devaux, Étude de nouvelles phases du cérium, un pas vers l'élaboration de nouveaux matériaux plastiques et métalliques
• Somnath Bhowmick, Methods and calculation of lower bound energy in atoms and molecules
• Marie-Laure Bonnet, Vibrational spectroscopy with DFTB-MD in the gas phase: is it acurate enough in comparison to DFT-MD?
• Nicolas Dupuy, Anthracène : géométrie et énergétique par méthodes Monte Carlo Quantique
• Stéphane Humbel, Délocalisation électronique et projection de fonction d'onde
• Ion Errea, Anharmonic free energies and vibrational frequencies from the stochastic self-consistent harmonic approximation

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