On the acceptance probability of replica-exchange Monte Carlo trials

@inproceedings{Kofke2002OnTA,
  title={On the acceptance probability of replica-exchange Monte Carlo trials},
  author={David A. Kofke},
  year={2002}
}
An analysis is presented of the average probability of accepting an exchange trial in the parallel-tempering Monte Carlo molecular simulation method. Arguments are given that this quantity should be related to the entropy difference between the phases, and results from simulations of a simple Lennard-Jones system are presented to support this argument qualitatively. Another analysis based on the energy distributions of a replica pair is presented, and an exact expression for the trial-move… CONTINUE READING

From This Paper

Figures, tables, and topics from this paper.

Citations

Publications citing this paper.
Showing 1-10 of 31 extracted citations

Multiscale implementation of infinite-swap replica exchange molecular dynamics.

Proceedings of the National Academy of Sciences of the United States of America • 2016

References

Publications referenced by this paper.
Showing 1-9 of 9 references

J. Chem. Phys. J. Chem. Phys. J. Chem. Phys. J. Chem. Phys. Phys. Rev. E

M Falcioni, M W Deem, A Irback, E Sandelin
J. Chem. Phys. J. Chem. Phys. J. Chem. Phys. J. Chem. Phys. Phys. Rev. E • 1754

5419 ͑2002͒. 22 Y. Sugita and Y. Okamoto

A Sugita, Y Kitao, +4 authors Q Faller
5419 ͑2002͒. 22 Y. Sugita and Y. Okamoto • 1727

Chem. Phys. Lett

Y Ishikawa, T Sugita, Y Nishikawa, Okamoto
Chem. Phys. Lett

Chem. Phys. Lett. Phys. Rev. D

M Ocasio, G E Lopez
Chem. Phys. Lett. Phys. Rev. D

Comput. Phys. Commun

Okamoto
Comput. Phys. Commun

J. Chem. Phys

A Gront, J Kolinski, Skolnick
J. Chem. Phys

J. Chem. Phys. Phys. Rev. E

A Gront, J Kolinski, Skolnick
J. Chem. Phys. Phys. Rev. E

Mol. Phys

G Wu, M W Deem
Mol. Phys

Phys. Soc. Jpn

K Hukushima, K Nemoto
Phys. Soc. Jpn

Similar Papers

Loading similar papers…