GDR Meeting 2013 Program
Révision datée du 28 novembre 2013 à 08:21 par Julien.toulouse@upmc.fr (discussion | contributions) (→Short presentations (Thursday and Friday))
<<< Home page of the GdR Meeting 2013
See list of participants.
Download printable program (French version)
Sommaire
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 Registration | ||
| Chair: Andreas Savin
9:00-10:30 Evert Jan Baerends |
Chair: Julien Toulouse
9:00-9:25 Jean-Paul Malrieu 9:25-9:50 Emmanuel Giner 9:50-10:15 Mario Dagrada |
Chair: Paola Nava
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 |
Chair: Carlo Adamo
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 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 |
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 Coffee break |
15:15-17:00 Posters + coffee (Esclangon cellars) | |
| Chair: Peter Reinhardt
16:00-17:30 Christian Ochsenfeld |
Chair: Nadia Ben Amor
17:00-17:25 Alexandrina Stoyanova 17:25-17:50 Odile Franck 17:50-18:15 Lucas Baguet | |
Program
Download printable program (French version)
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
- Daniel Borgis, Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique
- 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
- Matthieu Saubanère, Numerical correlation-energy functional for lattice density-functional theory: A systematic approach to the ground-state properties of strongly correlated systems
- 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 Cancelled
- Gabriel Labaigt (LCPMR Paris), Close coupling CI-approach of atomic and molecular collisions: new perspectives on inner-shell processes in H+ - Li
Posters (Thursday)
- Thomas Applencourt, A. Scemama, M. Caffarel, Le calcul des forces en Monte carlo quantique
- Roland Assaraf, Échantillonnage corrélé sans poids: calculer des propriétés en QMC avec des fluctuations statistiques indépendantes de la taille du système
- Silke Biermann, Dynamical screening in correlated materials: recent progress in combined many-body perturbation theory and dynamical mean field theory
- Marie-Laure Bonnet, Vibrational spectroscopy with DFTB-MD in the gas phase: is it acurate enough in comparison to DFT-MD?
- Alex Borgoo, S. Knecht, A. Savin, T. Helgaker et A Teale, Adiabatic connection for ensemble energies: An alternative route to excitation energies
- Roberto Álvarez Boto, J. Contreras-García, E. R. Johnson, S. Keinan, D. Beratan, W. Yang, NCIPLOT: a program for revealing non covalent interactions
- Nicolas Devaux, M. Casula, Étude de nouvelles phases du cérium, un pas vers l'élaboration de nouveaux matériaux plastiques et métalliques
- Nicolas Dupuy, M. Casula, F. Mauri, S. Bouaouli, Anthracène : géométrie et énergétique par méthodes Monte Carlo Quantique
- Ion Errea, M. Calandra, F. Mauri, Anharmonic free energies and vibrational frequencies from the stochastic self-consistent harmonic approximation
- Isabelle Fourré, E. Alvarez, P. Chaquin, Carbon-helium bond in some small organic molecules: Structures, stabilities, and topological analyses (AIM, ELF)
- Stéphane Humbel, Délocalisation électronique et projection de fonction d'onde
- Noura Khemiri, S. Ayadi, M. Abderrabba, Theoretical study of substitution to α,β-unsaturated carbonylcompounds: Michael addition
- Oleksandr Kurakevych, Y. Le Godec, T.A. Strobel, D.Y. Kim, A.R. Oganov and V.L. Solozhenko, Superhard and semiconductive compounds discovered by the ab initio-assisted high-pressure synthesis
- Gabriel Labaigt, A. Dubois, Multielectronic close-coupling treatment of atomic and molecular collisions: applications to H+ - Li collision
- Eleonora Luppi, M. Head-Gordon, The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction
- Julien Pilmé, E. Renault, T. Ayed, G. Montavon, N. Galland, Introducing the topological analysis of density functions in the field of the quasirelativistic quantum calculations: the case of astatine compounds
- Franck Rabilloud, Description of plasmon-like band in silver clusters: the importance of long-range Hartree-fock exchange in TDDFT calculations
- Anthony Scemama, E. Giner, An efficient implementation of Slater-Condon rules for determinant-driven calculations
- Kamal Sharkas, J. Toulouse, A. Savin, Développement de nouvelles méthodes hybrides en théorie de la fonctionnelle de la densité par séparation linéaire de l’interaction électronique
- Philippe Sindzingre, L. Seabra, N. Shannon, T. Momoi, Phase diagram of the spin S=1/2 J1-J2-J3 model on the square lattice
- Julien Toulouse, W. Zhu, A. Savin, J. G. Angyan, G. Jansen, Density-functional theory with long-range many-body perturbative corrections for weak intermolecular interactions
- Julien Toulouse, B. Braïda, C. J. Umrigar, F. R. Petruzielo, Recent advances in quantum Monte Carlo: Wave-function optimization and new forms of wave functions
