Difference between revisions of "Communication"
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Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom. | Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom. | ||
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| + | High resolution pictures: | ||
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| + | [[File:strand_hires.png|600px]] | ||
| + | [[File:helix_hires.png|600px]] | ||
Latest revision as of 14:34, 19 September 2017
Contents
Video files
Full beta-amyloid QMC simulation
Download video files here:
Equip@Meso presentation
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
Overview of a Quantum Monte Carlo simulation. Apart from the initialization and finalization step, all the processes are completely independent.
Beta-amyloid
Stochastic trajectories of electrons around the nuclei on the beta-amyloid simulated on Curie in Dec 2011. Different electron colors represent different time steps.
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.
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.
Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom.
High resolution pictures:
