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CN 34-1054/N

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

  • 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

Cite this:
https://doi.org/10.3969/j.issn.0253-2778.2015.05.005
  • Received Date: 24 March 2015
  • Rev Recd Date: 12 May 2015
  • Publish Date: 31 May 2015
    Abstract

  • 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.

    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.
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