The midpoint method for parallelization of particle simulations.

@article{Bowers2006TheMM,
  title={The midpoint method for parallelization of particle simulations.},
  author={Kevin J. Bowers and Ron O. Dror and David E. Shaw},
  journal={The Journal of chemical physics},
  year={2006},
  volume={124 18},
  pages={
          184109
        }
}
The evaluation of interactions between nearby particles constitutes the majority of the computational workload involved in classical molecular dynamics (MD) simulations. In this paper, we introduce a new method for the parallelization of range-limited particle interactions that proves particularly suitable to MD applications. Because it applies not only to pairwise interactions but also to interactions involving three or more particles, the method can be used for evaluation of both nonbonded… CONTINUE READING

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References

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SHOWING 1-10 OF 20 REFERENCES

Computer Simulations of Biological Systems

  • A Kollman, R W Dixon, W D Cornell, T Fox, C Chipot, A Pohorille
  • Computer Simulations of Biological Systems
  • 1997

Intermolecular Forces, edited by B. Pullman ͑Reidel

  • J C Berendsen, J P M Postma, W F Van Gunsteren, J Hermans
  • Intermolecular Forces, edited by B. Pullman…
  • 1981

J. Chem. Phys. J. Comput. Chem. Biophys. J. Biophys . J

  • L Brooks, B M Pettit, M Karplus, P Mark, L Nilsson
  • J. Chem. Phys. J. Comput. Chem. Biophys. J…
  • 1211

Annu. Rev. Astron. Astrophys

  • J Monaghan
  • Annu. Rev. Astron. Astrophys

Comput. Phys. Commun

  • S Heffelfinger
  • Comput. Phys. Commun

Conf. Ser

  • J Bowers, R O Dror, D E Shaw, J Phys
  • Conf. Ser

J. Am. Chem. Soc

  • L Jorgensen, D S Maxwell, J Tirado-Rives
  • J. Am. Chem. Soc

J. Chem. Phys

  • J L Shan, M P Klepeis, R O Eastwood, D E Dror, Shaw
  • J. Chem. Phys

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