Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide
Abstract
A Monte Carlo simulated annealing algorithm based on the generalized entropy of Tsallis is presented. The algorithm obeys detailed balance and reduces to a steepest descent algorithm at low temperatures. Application to the conformational optimization of a tetrapeptide demonstrates that the algorithm is more effective in locating low energy minima than standard simulated annealing based on molecular dynamics or Monte Carlo methods.
- Publication:
-
Physical Review E
- Pub Date:
- April 1996
- DOI:
- 10.1103/PhysRevE.53.R3055
- Bibcode:
- 1996PhRvE..53.3055A
- Keywords:
-
- 02.70.-c;
- 02.60.Pn;
- 02.50.Ey;
- Computational techniques;
- simulations;
- Numerical optimization;
- Stochastic processes