Multicanonical basin hopping: A new global optimization method for complex systems

被引：34

作者：

Zhan, LX ^{[1
]}

Piwowar, B

Liu, WK

Hsu, PJ

Lai, SK

Chen, JZY

机构：

[1] Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada

[2] Natl Cent Univ, Dept Phys, Chungli 320, Taiwan

来源：

JOURNAL OF CHEMICAL PHYSICS | 2004年 / 120卷 / 12期

关键词：

D O I：

10.1063/1.1649728

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We introduce a new optimization algorithm that combines the basin-hopping method, which can be used to efficiently map out an energy landscape associated with minima, with the multicanonical Monte Carlo method, which encourages the system to move out of energy traps during the computation. As an example of implementing the algorithm for the global minimization of a multivariable system, we consider the Lennard-Jones systems containing 150-185 particles, and find that the new algorithm is more efficient than the original basin-hopping method. (C) 2004 American Institute of Physics.

引用

页码：5536 / 5542

页数：7

共 32 条

[1] Algorithmic aspects of multicanonical simulations [J].