Communication

Video files

Full beta-amyloid QMC simulation

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Amyloid Beta peptide, 28 residues A stochastic trajectory for the 1731 electrons of systems. Click on the image to see the animation.

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.