CISUC - An evolutionary algorithm for global minimum search of binary atomic clusters
CISUC

An evolutionary algorithm for global minimum search of binary atomic clusters

Authors

Abstract

We propose an evolutionary algorithm (EA) for global optimization of binary atomic clusters. The method is applied to binary Lennard-Jones (BLJ) clusters as a testing ground, while a limited set of results for mixed argon-krypton clusters are also reported. We show that the method is effective in discovering all global minima of BLJ clusters for nuclearities up to N=50 and different values of the atoms size ratio. Moreover, one new global minimum has been discovered for N=38 and size ratio 1.05.

Subject

Evolutionary Optimization

Journal

Chemical Physics Letters, Vol. 485, pp. 211-216, January 2010

Cited by

Year 2015 : 5 citations

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 Ternary and quaternary Lennard-Jones atomic clusters: The effects of atomic sizes on the compositions, geometries, and relative stability
H Takeuchi - Chemical Physics, 2015 - Elsevier

 Pure and Hybrid Evolutionary Computing in Global Optimization of Chemical Structures: from Atoms and Molecules to Clusters and Crystals
K Sarkar, SP Bhattacharyya - arXiv preprint arXiv:1509.00028, 2015 - arxiv.org

Year 2014 : 4 citations

 Fast optimization of binary clusters using a novel dynamic lattice searching method
X Wu, W Cheng - The Journal of chemical physics, 2014 - scitation.aip.org

 On the lowest-energy structure of binary Zn–Cd nanoparticles: Size and composition
CMA Zanvettor, JMC Marques - Chemical Physics Letters, 2014 - Elsevier

 Theoretical studies of structures and energies of Pd, Au–Pd, and Au–Pd–Pt clusters
X Wu, Y Dong - New Journal of Chemistry, 2014 - pubs.rsc.org

 Binary Lennard-Jones atomic clusters: Structural features induced by large-sized atoms
H Takeuchi - Computational and Theoretical Chemistry, 2014 - Elsevier

Year 2013 : 3 citations

 Liquid-Drop-Like Multi-Orbit Topology Versus Ring Topology in PSO for Lennard-Jones Problem
K Deep - Proceedings of Seventh International Conference on …, 2013 - Springer

 Performance of modified Lennard–Jones potential to seed ab initio calculations of small cadmium clusters
M Muñoz, A Varas, C Cárdenas, J Rogan… - Computational and …, 2013 - Elsevier

 Novas ideias para o Método de Basin-Hopping Monte Carlo aplicado à otimização global de Clusters e Nanopartículas
GG Rondina - teses.usp.br

Year 2012 : 1 citations

 X Wu, Y Sun, C Li, W Yang. Parametric Effects of the Potential Energy Function on the Geometrical Features of Ternary Lennard-Jones Clusters. The Journal of Physical Chemistry A, 2012 - ACS Publications

Year 2011 : 4 citations

 Ye Tao, Xu Ruchu, Huang Wenqi (2011). Global Optimization of Binary Lennard-Jones Clusters Using Three Perturbation Operators. Journal of Chemical Information and Modeling.

 Xia Wu, Genhua Wu, Youcun Chen, and Yuanyuan Qiao (2011). Structural Optimization of Cu–Ag–Au Trimetallic Clusters by Adaptive Immune Optimization Algorithm, The Journal of Physical Chemistry A 2011 115 (46), 13316-13323.

 GB Bokas, GA Evangelakis, CE Lekka. Modifications of CuxZr12?xY Icosahedra upon (0 < x < 12, Y = Be, Mg, Al, Si, P, Nb, Ag) substitutions by density functional theory computations. Computational Materials Science, 2011 - Elsevier.

 X Lai, R Xu, W Huang. Geometry optimization of bimetallic clusters using an efficient heuristic method. The Journal of chemical physics, 2011.

Year 2010 : 1 citations

 Jason Deckman, Vladimir A. Mandelshtam (2010). The Ground State Estimation by Global Optimization of an Effective Potential. Application to Binary para-H2/ortho-D2 Molecular Clusters. J. Phys. Chem. A, online June 2010.