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

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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Bibliographic Details
Published in:Tsinghua Science and Technology 17, 3 (June 2012).
Main Author: Wu, Qiang
Other Authors: Yang, Canqun, Tang, Tao, Lu, Kai
Format: Article
Language:English
Subjects:
GPU computing.
Computational modeling.