Efficient molecular dynamics simulations with many-body potentials on graphics processing units

25 Jun 2017 Fan Zheyong Chen Wei Vierimaa Ville Harju Ari

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones... (read more)

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  • COMPUTATIONAL PHYSICS
  • MATERIALS SCIENCE
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