GDR Meeting 2013 Program

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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 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

19:30 Dinner

Program

Overview lectures (Wednesday)

Short presentations (Thursday and Friday)

Posters (Thursday) - to be completed

  • 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
  • Somnath Bhowmick, D. Hagebaum-Reignier, G.-H. Jeung, 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 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
  • 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
  • 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

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