Communication - Revision history

Scemama at 13:34, 19 September 2017

2017-09-19T13:34:29Z

2016-11-22T09:43:11Z

Full beta-amyloid QMC simulation

2013-07-26T15:46:27Z

Beta-amyloid

2013-07-24T15:52:01Z

2013-07-17T07:33:39Z

Full beta-amyloid QMC simulation

2012-10-23T23:22:16Z

TGCC/Curie on France 3

2012-08-01T11:38:10Z

Beta-amyloid

2012-06-11T16:43:11Z

Video files

2012-04-24T16:40:02Z

Video files

2012-04-13T12:51:42Z

Beta-amyloid

← Older revision		Revision as of 13:34, 19 September 2017
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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.
		+
		+
		+	High resolution pictures:
		+
		+	[[File:strand_hires.png\|600px]]
		+	[[File:helix_hires.png\|600px]]

@@ Line 6: / Line 6: @@
 * [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mpg .mpg format]
 * [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mp4 .mp4 format]
 === Equip@Meso presentation ===

← Older revision		Revision as of 15:46, 26 July 2013
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	[[File:peptide_cu.png\|600px]]		[[File:peptide_cu.png\|600px]]
		+
		+	[[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.

← Older revision		Revision as of 15:52, 24 July 2013
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	[[File:Qmc.png\|600px]]		[[File:Qmc.png\|600px]]
		+
		+	[[File:qmc_hydrogen.png\|600px]]

	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.

@@ Line 4: / Line 4: @@
 Download video files here:
-* [http://qmcchem.ups-tlse.fr/files/scemama/1amb.wmv .wmv format]
+* [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mpg .mpg format]
 * [http://qmcchem.ups-tlse.fr/files/scemama/1amb.mp4 .mp4 format]

@@ Line 15: / Line 15: @@
 <b> Click on the image to see the animation. </b></td></tr></table>
 </html>
 === TGCC/Curie on France 3 ===

← Older revision		Revision as of 11:38, 1 August 2012
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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]]
		+
		+	Stochastic trajectories of electrons around the nuclei on the beta-amyloid fragment with a Copper atom.

← Older revision		Revision as of 16:43, 11 June 2012
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	http://www-hpc.cea.fr/fr/complexe/FRANCE_3_reportage_Curie_CEA_130312.swf		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 ==

← Older revision		Revision as of 16:40, 24 April 2012
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	</html>		</html>

		+	=== TGCC/Curie on France 3 ===
		+
		+	http://www-hpc.cea.fr/fr/complexe/FRANCE_3_reportage_Curie_CEA_130312.swf

	== Pictures ==		== Pictures ==

@@ Line 28: / Line 28: @@
 [[File:peptide.png|600px]]
 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]]
 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.
 [[File:alpha-beta.png|600px]]
 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.