Journée mésocentres 2014 - Sciencesconf.org

Introduction Accueil

J. ZWANZIGER (Dalhousie University, Canada)

Photoelasticity: between lab work and abinit simulations

M. BOERO (IPCMS, CNRS-University of Strasbourg, France & Computational Materials Science Initiative (CMSI), Japan) - "Computational Materials Science from solid state physics to biochemistry: Methods and related applications"

https://mesocentres2014.sciencesconf.org/data/program/Talk_BOERO_1.pdf

Pause

Th. DEUTSCH (Laboratoire de Simulation Atomistique, CEA Grenoble) - "Linear Scaling Density Functional Theory with Daubechies Wavelets for Massively Parallel Architectures"

https://mesocentres2014.sciencesconf.org/data/program/Talk_DEUTSCH.pdf

F. SOTTILE (LSI, École Polytechnique) - "Response functions in Density Functional and Green's Functions theories: implementation on parallel systems and results with the DP and the EXC codes"

https://mesocentres2014.sciencesconf.org/data/program/Talk_SOTTILE.pdf

Buffet dans le grand hall du LR6 (Traiteur Pignol)

X. GONZE (Université Catholique de Louvain) - "The ABINIT project, modern software engineering techniques for the simulation of materials and nanosystems"

M. BENOIT (groupe MC2, CEMES, Toulouse) - "Les nano-particules bi-métalliques: un problème de taille"

https://mesocentres2014.sciencesconf.org/data/program/Talk_NP_MC2_BENOIT.pdf

Pause

E. DUVERGER (Institut FEMTO-ST, Département Micro Nano Sciences & Systèmes) - "Traitement par DFT de systèmes moléculaires de très grandes tailles sans approximation"

https://mesocentres2014.sciencesconf.org/data/program/Talk_GDR_spider_DUVERGER.pdf

L. LAGARDÈRE (ICS/LJLL/LCT, UPMC, Sorbonne Universités) -" Vers des simulations hybrides QM/MM haute performance: dialogue entre mathématiques appliquées et chimie théorique"

https://mesocentres2014.sciencesconf.org/data/program/Talk_LAGARDERE.pdf

Ph. SAUTET (Université de Lyon, CNRS, ENS Lyon)

Modelling heterogeneous catalysis: what challenge for first principle calculations?

https://mesocentres2014.sciencesconf.org/data/program/Talk_SAUTET.pdf