Fast parallel cutoff pair interactions for molecular dynamics on heterogeneous systems.

Heterogeneous systems with both Central Processing Units (CPUs) and Graphics Processing Units (GPUs) are frequently used to accelerate short-ranged Molecular Dynamics (MD) simulations. The most time-consuming task in short-ranged MD simulations is the computation of particle-to-particle interactions...

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Pubblicato in:Tsinghua Science and Technology 17, 3 (June 2012).
Autore principale: Wu, Qiang
Altri autori: Yang, Canqun, Tang, Tao, Lu, Kai
Natura: Articolo
Lingua:English
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