Réunion GDR 2013 Programme : Différence entre versions
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* '''Antoine Marion''' (SRSMC, Nancy), [[Réunion_GDR_2013_Résumés#An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems|''An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems'']] | * '''Antoine Marion''' (SRSMC, Nancy), [[Réunion_GDR_2013_Résumés#An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems|''An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems'']] | ||
* '''Bernard Amadon''' (CEA Paris), [[Réunion_GDR_2013_Résumés#Calculation of screened coulomb interaction in strongly correlated f electron solids|''Calculation of screened coulomb interaction in strongly correlated f electron solids'']] | * '''Bernard Amadon''' (CEA Paris), [[Réunion_GDR_2013_Résumés#Calculation of screened coulomb interaction in strongly correlated f electron solids|''Calculation of screened coulomb interaction in strongly correlated f electron solids'']] | ||
| − | * '''Thomas Ayral''', [[Réunion_GDR_2013_Résumés#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|''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'']] | + | * '''Thomas Ayral''' (Ecole Polytechnique/CEA Paris), [[Réunion_GDR_2013_Résumés#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|''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''', [[Réunion_GDR_2013_Résumés#Determination of the One-particle Green's Function: Freedom and Constraints|''Determination of the One-particle Green's Function: Freedom and Constraints'']] | * '''Giovanna Lani''', [[Réunion_GDR_2013_Résumés#Determination of the One-particle Green's Function: Freedom and Constraints|''Determination of the One-particle Green's Function: Freedom and Constraints'']] | ||
* '''Vita Ilakovac''', [[Réunion_GDR_2013_Résumés#Spins and charges in Sr14Cu24O41|''Spins and charges in Sr14Cu24O41'']] | * '''Vita Ilakovac''', [[Réunion_GDR_2013_Résumés#Spins and charges in Sr14Cu24O41|''Spins and charges in Sr14Cu24O41'']] | ||
Version du 21 octobre 2013 à 11:30
<<< Page d'accueil de la réunion GdR 2013
Sommaire
Emploi du temps
| Mercredi 27 novembre
Jussieu, Bat. Esclangon, Amphi Durand |
Jeudi 28 novembre
Jussieu, Bat. Esclangon, Amphi Durand |
Vendredi 29 novembre
Jussieu, Bat. Esclangon, Amphi Durand |
|---|---|---|
| 8:30-9:00 Accueil | ||
| Animateur: Andreas Savin
9:00-10:30 Evert Jan Baerends |
Chair:
9:00-9:25 Jean-Paul Malrieu 9:25-9:50 Emmanuel Giner 9:50-10:15 Mario Dagrada |
Chair:
9:00-9:25 Matthieu Saubanère 9:25-9:50 Andre Gomes 9:50-10:15 Antoine Marion |
| 10:30-10:45 Pause café (Caves Esclangon) |
10:30-10:45 Pause café (Caves Esclangon) |
10:30-10:45 Pause café (Hall Esclangon) |
| Animateur: Michel Caffarel
10:45-12:15 Garnet Chan |
Chair:
10:45-11:10 Daniel Borgis 11:10-11:35 Noura Khemiri 11:35-12:00 Asma Marzouk |
Chair: Michele Casula
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 Déjeuner : Buffet (Caves Esclangon) | 12:00-14:00 Déjeuner : L'Ardoise (Jussieu, Tour 25)
(Réunion du bureau du GDR pendant le déjeuner) |
|
| Animateur: Chantal Daniel
14:15-15:45 Jürgen Gauss |
Chair: Emmanuel Fromager
14:00-14:25 Dario Rocca 14:25-14:50 Bastien Mussard 14:50-15:15 Elisa Rebolini |
|
| 15:45-16:00 Pause café (Caves Esclangon) |
15:15-17:00 Posters +café (Caves Esclangon) | |
| Animateur: Peter Reinhardt
16:00-17:30 Christian Ochsenfeld |
Chair:
17:00-17:25 Alexandrina Stoyanova 17:25-17:50 Odile Franck 17:50-18:15 Lucas Baguet | |
|
20:00 Dîner ? |
Programme
Présentations de revue (Mercredi)
- 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
Présentations courtes (Jeudi et Vendredi)
- Jean-Paul Malrieu (Toulouse), A multi-state multi-reference coupled cluster formalism
- Emmanuel Giner (Toulouse), Fonctions d’onde multi-déterminantales sélectionnées pour les calculs Monte Carlo quantique
- Mario Dagrada (IMPMC Paris), Quantum Monte Carlo study of protonated water dimer
- Daniel Borgis (ENS Paris), Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique
- Noura Khemiri(Carthage Tunisie), Etude DFT et multi configurationelle de la spectroscopie et de la fragmentation du cation de la benzophénone
- Asma Marzouk (LADIR Paris), L'approche Broken Symmetry dans le formalisme UDFT : prise en compte de la corrélation statique
- Dario Rocca (CRM2 Nancy), Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: Theory and applications to the benzene dimer
- Bastien Mussard (CRM2 Nancy), Analytical gradients of random phase approximation correlation energies in range-separated-hybrid context: Theory and implementation
- Elisa Rebolini (LCT Paris), Noyau de corrélation Bethe-Salpeter dépendant de la fréquence pour le calcul des énergies d’excitation en TDDFT
- Alexandrina Stoyanova (Dresden Allemagne), On the combination of range-separated density-functional perturbation theory with optimized effective potential techniques
- Odile Franck (Strasbourg), Connexion adiabatique généralisée pour un ensemble d’états excités partiellement occupés : exemple de H2
- Lucas Baguet(LPTMC Paris), Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions
- Matthieu Saubanère (Montpellier), Numerical correlation-energy functional for lattice density-functional theory: A systematic approach to the ground-state properties of strongly correlated systems
- Andre Gomes (Lille), Towards systematically improvable models for heavy elements in condensed phase with frozen density embedding
- Antoine Marion (SRSMC, Nancy), An improved description of solute-solvent interactions for semiempirical (NDDO) Born-Oppenheimer molecular dynamics of biomolecular systems
- Bernard Amadon (CEA Paris), Calculation of screened coulomb interaction in strongly correlated f electron solids
- Thomas Ayral (Ecole Polytechnique/CEA Paris), 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
Affiches (Jeudi) - à compléter
- 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
