Difference between revisions of "Communication"
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Download video files here: | Download video files here: | ||
| − | * [http://qmcchem.ups-tlse.fr/files/scemama/1amb. | + | * [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mpg .mpg format] |
* [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mp4 .mp4 format] | * [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mp4 .mp4 format] | ||
| − | + | === Equip@Meso presentation === | |
| − | + | http://vod-flash.u-strasbg.fr:8080/canalc2/2012/1017_equipe_at_meso/20121018_11_scemama_equip@meso.mp4 | |
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| + | === 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 === | ||
| + | |||
| + | * [http://qmcchem.ups-tlse.fr/files/scemama/n2.gif Animated gif] | ||
| + | * [http://qmcchem.ups-tlse.fr/files/scemama/n2.mpeg MPEG] | ||
== Pictures == | == Pictures == | ||
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[[File:Qmc.png|600px]] | [[File:Qmc.png|600px]] | ||
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| + | [[File:qmc_hydrogen.png|600px]] | ||
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Overview of a Quantum Monte Carlo simulation. Apart from the initialization and finalization step, all the processes are completely independent. | Overview of a Quantum Monte Carlo simulation. Apart from the initialization and finalization step, all the processes are completely independent. | ||
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[[File:peptide.png|600px]] | [[File:peptide.png|600px]] | ||
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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. Different electron colors represent different time steps. | ||
[[File:peptide_nozoom.png|600px]] | [[File:peptide_nozoom.png|600px]] | ||
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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 | 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. | time steps in the past are represented as the footprints of the electrons. | ||
[[File:alpha-beta.png|600px]] | [[File:alpha-beta.png|600px]] | ||
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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. | 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. | ||
| + | |||
| + | [[File:peptide_cu.png|600px]] | ||
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| + | [[File:alzheimer.png|600px]] | ||
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| + | Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom. | ||
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| + | High resolution pictures: | ||
| + | |||
| + | [[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:
Error creating thumbnail: File with dimensions greater than 12.5 MP
Error creating thumbnail: File with dimensions greater than 12.5 MP
