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General purpose molecular dynamics simulations fully implemented on graphics processing units

Journal of Computational Physics · 2008 · Vol. 227(10) · pp. 5342–5359

Joshua A. Anderson✉(Ames National Laboratory)Christian D. Lorenz(King's College London)Alex Travesset(Iowa State University)

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Parallel Computing and Optimization Techniques Theoretical and Computational Physics Advanced Data Storage TechnologiesComputer scienceGraphicsRendering (computer graphics)General purposeGeneral-purpose computing on graphics processing unitsComputational scienceParallel computingGraphics processing unitCode (set theory)GPU cluster

Funding

National Science Foundation
U.S. Department of Energy
Division of Materials Research
Ames Laboratory

Citations

1,497

FWCI

66.95

field-weighted impact

References

22

Percentile

100%

vs. same field & year

Citations per year

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References

GROMACS: A message-passing parallel molecular dynamics implementation

Computer Physics Communications · 1995 · 10,317 citations

Reversible multiple time scale molecular dynamics

The Journal of Chemical Physics · 1992 · 3,560 citations

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Journal of Computational Physics · 1995 · 43,820 citations

Scalable molecular dynamics with NAMD

Journal of Computational Chemistry · 2005 · 17,211 citations

Computer Simulation of Liquids

Journal of Molecular Liquids · 1988 · 15,842 citations

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