Réunion GDR 2013 Programme (Page de travail) : Différence entre versions
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| Ligne 113 : | Ligne 113 : | ||
* '''Bernard Amadon''', ''Calculation of screened coulomb interaction in strongly correlated f electron solids'' | * '''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'' | * '''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'' | ||
| − | |||
* '''Lucas Baguet''', ''Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions'' | * '''Lucas Baguet''', ''Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions'' | ||
| + | * '''Vita Ilakovac''', ''Spins and charges in Sr_14Cu_24O_41'' | ||
* '''Ion Errea''', ''Anharmonic free energies and vibrational frequencies from the stochastic self-consistent harmonic approximation'' | * '''Ion Errea''', ''Anharmonic free energies and vibrational frequencies from the stochastic self-consistent harmonic approximation'' | ||
Version du 1 octobre 2013 à 11:02
<<< Page d'accueil de la réunion GdR 2013
Sommaire
Emploi du temps
| Mercredi 27 novembre | Jeudi 28 novembre | Vendredi 29 novembre |
|---|---|---|
| 8:30-9:00 Accueil | ||
| Animateur: Andreas Savin
9:00-10:30 Evert Jan Baerends |
9:00-9:25 Malrieu
9:25-9:50 Giner 9:50-10:15 Présentation |
9:00-9:25 Borgis
9:25-9:50 Gomes 9:50-10:15 Marion |
| 10:30-10:45 Pause café |
10:30-10:45 Pause café |
10:30-10:45 Pause café |
| Animateur: Michel Caffarel
10:45-12:15 Garnet Chan |
10:45-11:10
11:10-11:35 Présentation 11:35-12:00 Présentation |
10:45-11:10 Amadon
11:10-11:35 Ayral 11:35-12:00 Présentation |
| 12:15-14:15 Déjeuner | 12:00-14:00 Déjeuner
(Réunion du bureau du GDR ?) |
|
| Animateur: Chantal Daniel
14:15-15:45 Jürgen Gauss |
14:00-14:25 Rocca
14:25-14:50 Mussard 14:50-15:15 Rebolini |
|
| 15:45-16:00 Pause café |
15:15-17:00 Posters + café | |
| Animateur: Peter Reinhardt
16:00-17:30 Christian Ochsenfeld |
17:00-17:25 Stoyanova
17:25-17:50 Franck | |
|
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)
CC/QMC/corrélation forte :
- 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
DFT :
- 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
Effets d'environnement (solvation, etc...):
- 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
Corrélation forte en matière condensée:
- 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
- Lucas Baguet, Diagramme de phase Hartree-Fock du gaz d'électrons homogène à 2 et 3 dimensions
- Vita Ilakovac, Spins and charges in Sr_14Cu_24O_41
- Ion Errea, Anharmonic free energies and vibrational frequencies from the stochastic self-consistent harmonic approximation
- etc...
Affiches (Jeudi)
- 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
