title: Improved evolutionary algorithm for the global optimization of clusters with competing attractive and repulsive interactions.
abstract: We propose improvements to our evolutionary algorithm (EA) [J. M. C. Marques and F. B. Pereira, J. Mol. Liq. 210, 51 (2015)] in order to avoid dissociative solutions in the global optimization of clusters with competing attractive and repulsive interactions. The improved EA outperforms the original version of the method for charged colloidal clusters in the size range 3 ≤ N ≤ 25, which is a very stringent test for global optimization algorithms. While the Bernal spiral is the global minimum for clusters in the interval 13 ≤ N ≤ 18, the lowest-energy structure is a peculiar, so-called beaded-necklace, motif for 19 ≤ N ≤ 25. We have also applied the method for larger sizes and unusual quasi-linear and branched clusters arise as low-energy structures.
authors: CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal.
authors: S M A
authors: SM
authors: Cruz
authors: CQC, Department of Chemistry, University of Coimbra, 3004-535 Coimbra, Portugal.
authors: J M C
authors: JM
authors: Marques
authors: Instituto Superior de Engenharia de Coimbra, Quinta da Nora, 3030-199 Coimbra, Portugal and Centro de Informática e Sistemas da Universidade de Coimbra (CISUC), 3030-290 Coimbra, Portugal.
authors: F B
authors: FB
authors: Pereira