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Molecular dynamics simulations with many-body potentials on multiple GPUs - The implementation, package and performance.
Qing Hou
Min Li
Yulu Zhou
Jiechao Cui
Zhenguo Cui
Jun Wang
Published in:
Comput. Phys. Commun. (2013)
Keyphrases
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general purpose
human body
graphics cards
data streams
graphics processing units
molecular dynamics
molecular dynamics simulations
fine grained
numerical simulations
efficient implementation