Generalized Bulgac-Kusnezov methods for sampling of the Gibbs-Boltzmann measure.

@article{Leimkuhler2010GeneralizedBM,
  title={Generalized Bulgac-Kusnezov methods for sampling of the Gibbs-Boltzmann measure.},
  author={Benedict J. Leimkuhler},
  journal={Physical review. E, Statistical, nonlinear, and soft matter physics},
  year={2010},
  volume={81 2 Pt 2},
  pages={026703}
}
A wide family of methods is described for sampling in the canonical ensemble. The Bulgac-Kusnezov method is generalized to include a more complicated coupling structure and stochastic perturbations. It is shown that a controlled fluctuation of the potential surface or force field in a molecular model may be used as part of a sampling method (instead of the more standard friction or driving term). Numerical experiments demonstrate that the family includes methods that are effective for… CONTINUE READING

From This Paper

Topics from this paper.

References

Publications referenced by this paper.
Showing 1-6 of 6 references

Arch

  • F. Legoll, M. Luskin, R. Moeckel
  • Rat. Mech. Anal. 184, 449-463
  • 2007

Phys

  • S. Melchionna, J. Chem
  • 127, 044108
  • 2007

Chem

  • E. Vanden-Eijnden, G. Ciccotti
  • Phys. Lett. 429, 310-316
  • 2006

Dyn

  • B. Leimkuhler, C. Sweet, SIAM J. Appl
  • Syst. 4, 187-216
  • 2005

Ima J

  • G. N. Milstein, N. V. Tretyakov
  • Numer. Anal.23, 593-626
  • 2003

Markov Process

  • J. C. Mattingly, A. M. Stuart
  • Related Fields, 8, 199–214
  • 2002

Similar Papers

Loading similar papers…