Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique

Details Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique

2003-10-17

arxiv.org/abs/cond-mat/0310422v1

Physics

Condensed Matter

Materials Science

4 pages, 4 postscript figures

Scientific paper

We present an accelerated algorithm that samples correctly the thermodynamic ensemble in complex systems where the dynamics is controlled by activation barriers. The efficiency of the thermodynamically-weighted activation-relaxation technique (THWART) is many orders of magnitude greater than standard molecular dynamics, even at room temperature and above, in systems as complex as proteins and amorphous silicon.

Affiliated with

Also associated with

No associations

Rating

Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique 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 Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Efficient sampling in complex materials at finite temperature: the thermodynamically-weighted activation-relaxation technique will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-439732