Communication

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Video files

Full beta-amyloid QMC simulation

Download video files here:

Equip@Meso presentation

http://vod-flash.u-strasbg.fr:8080/canalc2/2012/1017_equipe_at_meso/20121018_11_scemama_equip@meso.mp4

TGCC/Curie on France 3

http://www-hpc.cea.fr/fr/complexe/FRANCE_3_reportage_Curie_CEA_130312.swf

N2 animation with local energy graph

Pictures

QMC

Qmc.png

Qmc hydrogen.png

Overview of a Quantum Monte Carlo simulation. Apart from the initialization and finalization step, all the processes are completely independent.

Beta-amyloid

Peptide.png

Stochastic trajectories of electrons around the nuclei on the beta-amyloid simulated on Curie in Dec 2011. Different electron colors represent different time steps.

Peptide nozoom.png

Stochastic trajectories of electrons around the nuclei on the beta-amyloid simulated on Curie in Dec 2011. Electrons are repesented in gold, and a few time steps in the past are represented as the footprints of the electrons.

Alpha-beta.png

The two beta-amyloid structures simulated on Curie in Dec 2011 (122 atoms, 434 electrons). The energy difference between these two structures was computed with QMC=Chem.

Peptide cu.png

Alzheimer.png

Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom.


High resolution pictures:

Error creating thumbnail: File with dimensions greater than 12.5 MP
Error creating thumbnail: File with dimensions greater than 12.5 MP