Reaction rate calculation by parallel path swapping

Details Reaction rate calculation by parallel path swapping Reaction rate calculation by parallel path swapping

2007-04-25

arxiv.org/abs/0704.3317v1

Physics

Condensed Matter

Statistical Mechanics

5 pages, 3 figures

Scientific paper

10.1103/PhysRevLett.98.268301

The efficiency of path sampling simulations can be improved considerably using the approach of path swapping. For this purpose, we have devised a new algorithmic procedure based on the transition interface sampling technique. In the same spirit of parallel tempering, paths between different ensembles are swapped, but the role of temperature is here played by the interface position. We have tested the method on the denaturation transition of DNA using the Peyrard-Bishop-Dauxois model. We find that the new algorithm gives a reduction of the computational cost by a factor 20.

Affiliated with

Also associated with

No associations

Rating

Reaction rate calculation by parallel path swapping does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Reaction rate calculation by parallel path swapping, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Reaction rate calculation by parallel path swapping will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-707199