Back to Search Start Over

Quantum Thermal Annealing with Renormalization:  Application to a Frustrated Model Protein

Authors :
Lee, Y.-H.
Berne, B. J.
Source :
The Journal of Physical Chemistry - Part A; January 2001, Vol. 105 Issue: 2 p459-464, 6p
Publication Year :
2001

Abstract

A renormalization approach is introduced in quantum thermal annealing. This new global optimization algorithm (QTAR) is applied to a highly frustrated BLN model protein with 46 residues. The underlying quantum sampling algorithms utilized are primitive and staging path integral Monte Carlo. The current method enables us to achieve significant improvement in the success rate for locating the global minimum of this protein, while using much less computational effort, compared to previous schemes used. Further applications and possible enhancements of the algorithm are also discussed.

Details

Language :
English
ISSN :
10895639 and 15205215
Volume :
105
Issue :
2
Database :
Supplemental Index
Journal :
The Journal of Physical Chemistry - Part A
Publication Type :
Periodical
Accession number :
ejs1127162