Difference between revisions of "Communication"

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* [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mpg .mpg format]
 
* [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]
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or view on-line:
 
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<html>
 
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<table style="width:auto;"><tr><td><a href="https://picasaweb.google.com/lh/photo/7HFDA1WUJg2SgpWdsopVZdMTjNZETYmyPJy0liipFm0?feat=embedwebsite"><img src="https://lh5.googleusercontent.com/-tftU32oJ1c0/T2JhwNLCv0I/AAAAAAAAEO4/GfDH1K_v3LQ/s144/1amb.jpg" height="216" width="288" /></a></td></tr>
 
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<tr><td style="font-family:arial,sans-serif; font-size:11px; text-align:center"><a href="http://www.pdb.org/pdb/explore/explore.do?structureId=1amb"> Amyloid Beta peptide</a>, 28 residues<br>
 
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A stochastic trajectory for the 1731 electrons of systems.<br>
 
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<b> Click on the image to see the animation. </b></td></tr></table>
 
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</html>
 
  
 
=== Equip@Meso presentation ===
 
=== Equip@Meso presentation ===
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[[File:peptide_cu.png|600px]]
 
[[File:peptide_cu.png|600px]]
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[[File:alzheimer.png|600px]]
  
 
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]]
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[[File:helix_hires.png|600px]]

Latest revision as of 14:34, 19 September 2017

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
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