Journal of University of Science and Technology of China ›› 2015, Vol. 45 ›› Issue (5): 373-378.DOI: 10.3969/j.issn.0253-2778.2015.05.005

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Comparative study of basin-hopping and the minima-hopping global optimization methods: A case study on Lennard-Jones clusters

YAO Cheng   

  1. 1.Department of Electronic Information, Anhui Finance & Trade Vocational College, Hefei 230601, China; 2.Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, NC 27599, USA; 3.Dalian Institute of Chemical Physics of Chinese Academy of Sciences, Dalian 116000, China; 4.Key Laboratory of Intelligent Computing & Signal Processing, Ministry of Education, Anhui University, Hefei 230039, China
  • Received:2015-03-24 Revised:2015-05-12 Online:2015-05-31 Published:2015-05-31

Abstract: In order to find a better algorithm for global optimization of Lennard-Jones cluster, two algorithms, basin-hopping and minima-hopping, were used to optimize the structures of 13 particles, 38 particles, and 60 particles Lennard-Jones clusters. Both algorithms find global minima, while the minima-hopping method yields a faster search speed which is at least one order faster than the basin-hopping method.

Key words: global optimization, basin-hopping method, minima-hopping method, Lennard-Jones cluster