Action-derived molecular dynamics in the study of rare events

Details Action-derived molecular dynamics in the study of rare events Action-derived molecular dynamics in the study of rare events

2001-04-11

arxiv.org/abs/cond-mat/0104204v1

Physics

Condensed Matter

Soft Condensed Matter

7 Pages, 4 Figures (3 in color), submitted to Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.87.108302

We present a practical method to generate classical trajectories with fixed initial and final boundary conditions. Our method is based on the minimization of a suitably defined discretized action. The method finds its most natural application in the study of rare events. Its capabilities are illustrated by non-trivial examples. The algorithm lends itself to straightforward parallelization, and when combined with molecular dynamics (MD) it promises to offer a powerful tool for the study of chemical reactions.

Affiliated with

Also associated with

No associations

Rating

Action-derived molecular dynamics in the study of rare events 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 Action-derived molecular dynamics in the study of rare events, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Action-derived molecular dynamics in the study of rare events will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-399196