GDR Meeting 2013 Program : Différence entre versions
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=== Posters (Thursday) === | === Posters (Thursday) === | ||
| − | + | ||
* '''Roland Assaraf''', ''Échantillonnage corrélé sans poids: calculer des propriétés en QMC avec des fluctuations statistiques indépendantes de la taille du système'' | * '''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'' | * '''Silke Biermann''', ''Dynamical screening in correlated materials: recent progress in combined many-body perturbation theory and dynamical mean field theory'' | ||
| Ligne 149 : | Ligne 149 : | ||
* '''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'' | * '''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'' | * '''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'' | + | * '''Anthony Scemama''', E. Giner, ''An efficient implementation of Slater-Condon rules for determinant-driven calculations'', [http://irpf90.ups-tlse.fr/files/poster_scemama_gdr2013.pdf '''<font color="red">PDF</font>'''] |
* '''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'' | * '''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'' | * '''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''', W. Zhu, A. Savin, J. G. Angyan, G. Jansen, ''Density-functional theory with long-range many-body perturbative corrections for weak intermolecular interactions'' [http://www.lct.jussieu.fr/pagesperso/toulouse/communications/poster_rpa_paris_13.pdf '''<font color="red">PDF</font>'''] |
| − | * '''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'' | + | * '''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'' [http://www.lct.jussieu.fr/pagesperso/toulouse/communications/poster_qmc_paris_13.pdf '''<font color="red">PDF</font>'''] |
| + | |||
---- | ---- | ||
[[GDR_Meeting_2013|<<< Home page of the GdR Meeting 2013]] | [[GDR_Meeting_2013|<<< Home page of the GdR Meeting 2013]] | ||
Version actuelle datée du 15 janvier 2014 à 13:01
<<< 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 Gabriel Labaigt |
| 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 (Amsterdam Netherlands & Pohang South Korea), Perspectives on density-functional theory and density-matrix functional theory VIDEO
- Garnet Chan (Princeton USA), Perspectives on strongly correlated electrons VIDEO
- Jürgen Gauss (Mainz Germany), Perspectives on coupled-cluster methods PDF
- Christian Ochsenfeld (Munich Germany), Perspectives on correlated linear-scaling methods VIDEO
Short presentations (Thursday and Friday)
- Jean-Paul Malrieu (Toulouse), A multi-state multi-reference coupled cluster formalism PDF
- 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 PDF
- Daniel Borgis (ENS Paris), Liens entre DFT quantique et classique et le problème de la corrélation en DFT classique PDF
- 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 PDF
- Dario Rocca (CRM2 Nancy), Random-phase approximation correlation energies from Lanczos chains and an optimal basis set: Theory and applications to the benzene dimer PDF
- Bastien Mussard (CRM2 Nancy), Analytical gradients of random phase approximation correlation energies in range-separated-hybrid context: Theory and implementation PDF
- Elisa Rebolini (LCT Paris), Noyau de corrélation Bethe-Salpeter dépendant de la fréquence pour le calcul des énergies d’excitation en TDDFT
- Alexandrina Stoyanova (Strasbourg / Dresden Germany), On the combination of range-separated density-functional perturbation theory with optimized effective potential techniques
- Odile Franck (Strasbourg / LCT Paris), 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 PDF
- Matthieu Saubanère (Kassel Germany / 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 PDF
- 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 PDF
- Giovanna Lani (Ecole Polytechnique Paris / Jülich Germany), Determination of the One-particle Green's Function: Freedom and Constraints PDF
- Vita Ilakovac (LCPMR Paris), Spins and charges in Sr14Cu24O41 Annulé
- Gabriel Labaigt (LCPMR Paris), Close coupling CI-approach of atomic and molecular collisions: new perspectives on inner-shell processes in H+ - Li PDF
Posters (Thursday)
- 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, PDF
- 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 PDF
- 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 PDF
