Premium
A renormalization approach to quantum thermal annealing
Author(s) -
Lee Yong Han,
Berne B.J.
Publication year - 2000
Publication title -
annalen der physik
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.009
H-Index - 68
eISSN - 1521-3889
pISSN - 0003-3804
DOI - 10.1002/1521-3889(200010)9:9/10<668::aid-andp668>3.0.co;2-j
Subject(s) - quantum annealing , renormalization , physics , path integral formulation , simulated annealing , statistical physics , quantum , quantum tunnelling , planck constant , quantum mechanics , quantum algorithm , algorithm , computer science
The details of an efficient global optimization approach, quantum thermal annealing with renormalization (QTAR) (Y. H. Lee and B. J. Berne, J. Phys. Chem. A, in press (2000)) are presented in this paper. This method is based on the application of the Migdal‐Kadanoff method for decimating Trotter time slices in the staging and primitive algorithms for sampling path integrals using Monte Carlo methods. In a nutshell, one starts in a strong quantum regime where the number of Trotter beads representing each quantum particle and the value of Planck's constant are large, thereby allowing for efficient tunneling through the barriers of a rough energy landscape typical in the folding of proteins, and anneals the system methodically to the classical limit where the values of the aforementioned quantities are 1 and 0, respectively. Global optimization of the system is achieved through the iterative use of such quantum‐to‐classical annealing cycles. The QTAR algorithm applied to a highly frustrated BLN model protein with 46 residues more efficiently locates the global energy minimum than established methods like simulated annealing.