GDR Meeting 2013 Program : Différence entre versions
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'''9:50-10:15''' [[Réunion_GDR_2013_Résumés#Quantum Monte Carlo study of protonated water dimer|Mario Dagrada]] | '''9:50-10:15''' [[Réunion_GDR_2013_Résumés#Quantum Monte Carlo study of protonated water dimer|Mario Dagrada]] | ||
| − | !'''9:00-9:25''' [[Réunion_GDR_2013_Résumés# | + | !'''9:00-9:25''' [[Réunion_GDR_2013_Résumés#Numerical correlation-energy functional for lattice density-functional theory: A systematic approach to the ground-state properties of strongly correlated systems|Matthieu Saubanère]] |
'''9:25-9:50''' [[Réunion_GDR_2013_Résumés#Towards systematically improvable models for heavy elements in condensed phase with frozen density embedding|Andre Gomes]] | '''9:25-9:50''' [[Réunion_GDR_2013_Résumés#Towards systematically improvable models for heavy elements in condensed phase with frozen density embedding|Andre Gomes]] | ||
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'''10:45-12:15''' [[Réunion_GDR_2013_Résumés#Perspectives on strongly correlated electrons|Garnet Chan]] | '''10:45-12:15''' [[Réunion_GDR_2013_Résumés#Perspectives on strongly correlated electrons|Garnet Chan]] | ||
| − | !'''10:45-11:10''' [[Réunion_GDR_2013_Résumés# | + | !'''10:45-11:10''' [[Réunion_GDR_2013_Résumés#Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique|Daniel Borgis]] |
'''11:10-11:35''' [[Réunion_GDR_2013_Résumés#Etude DFT et multi configurationelle de la spectroscopie et de la fragmentation du cation de la benzophénone|Noura Khemiri]] | '''11:10-11:35''' [[Réunion_GDR_2013_Résumés#Etude DFT et multi configurationelle de la spectroscopie et de la fragmentation du cation de la benzophénone|Noura Khemiri]] | ||
Version du 16 octobre 2013 à 13:55
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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 November
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 Matthieu Saubanère
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 Daniel Borgis
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
