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Molecular dynamics beyonds the limits: Massive scaling on 72 racks of a BlueGene/P and supercooled glass dynamics of a 1 billion particles system.
Nicholas K. Allsopp
Giancarlo Ruocco
Andrea Fratalocchi
Published in:
J. Comput. Phys. (2012)
Keyphrases
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molecular dynamics
high performance computing
scientific data
molecular dynamics simulations
dynamical systems
protein folding
computer vision
fluid flow
data collection