Global optimization of binary Lennard–Jones clusters

References

• Doye , J. P.K. 2006 . “ Physical perspectives on the global optimization of atomic clusters ” . In Global Optimization: Scientific and Engineering Case Studies , Edited by: Pinter , J. D. Vol. 85 , 103 – 139 . Berlin : Springer . Nonconvex Optimization and Its Applications
   Google Scholar
• Doye , J. P.K. and Meyer , L. 2005 . Mapping the magic numbers in Binary Lennard-Jones clusters . Phys. Rev. Lett , 95 : 063401.1 – 063401.4 .
   Google Scholar
• Doye , J. P.K. and Meyer , L. 2006 . The structure of Binary Lennard-Jones clusters: The effects of atomic size ratio . ArXiv Condensed Matter e-prints
   Google Scholar
• Doye , J. P.K. , Leary , R. H. , Locatelli , M. and Schoen , F. 2004 . Global optimization of Morse clusters by potential energy transformations . INFORMS J. Comput , 16 : 371 – 379 .
   Google Scholar
• Grosso , A. , Locatelli , M. and Schoen , F. 2007 . An experimental analysis of a population based approach for global optimization . Comput. Optimi. Appl , 38 : 351 – 370 .
   Google Scholar
• Grosso , A. , Locatelli , M. and Schoen , F. 2007 . A population based approach for hard global optimization problems based on dissimilarity measures . Math. Program , 110 : 373 – 404 .
   Web of Science ®Google Scholar
• Hartke , B. 1999 . Global cluster geometry optimization by a phenotype algorithm with niches: Location of elusive minima, and low-order scaling with cluster size . J. Comput. Chem , 20 : 1752 – 1759 .
   Google Scholar
• Leary , R. H. 2000 . Global optimization on funneling landscapes . J. Global Optim , 18 : 367 – 383 .
   Web of Science ®Google Scholar
• Lee , J. , Lee , I. H. and Lee , J. 2003 . Unbiased global optimization of Lennard-Jones clusters for N ≤ 201 by conformational space annealing method . Phys. Ree. Let , 91 : 1 – 4 .
   Google Scholar
• Liu , D. and Nocedal , J. 1989 . On the limited memory BFGS method for large scale optimization . Math. Program. B , 45 : 503 – 528 .
   Web of Science ®Google Scholar
• Locatelli , M. 2005 . On the multilevel structure of global optimization problems . Comput. Optim. Appl , 30 : 5 – 22 .
   Google Scholar
• Locatelli , M. and Schoen , F. 2003 . Efficient algorithms for large scale global optimization: Lennard-Jones clusters . Comput. Optimi. Appl , 26 : 173 – 190 .
   Google Scholar
• Munro , L. J. , Tharrington , A. and Jordan , K. J. 2002 . Global optimization and finite temperature simulations of atomic clusters: Use of Xe n Ar m clusters as test systems . Comput. Phy. Comm , 145 : 1 – 23 .
   Google Scholar
• Pullan , W. 2005 . An unbiased population-based search for the geometry optimization of Lennard-Jones clusters: 2 ≤ N ≤ 372 . J. Comput. Chem , 26 : 899 – 906 .
   Google Scholar
• Rapallo , A. , Rossi , G. , Ferrando , R. , Fortunelli , A. , Curley , B. C. , Lloyd , L. D. , Tarbuck , G. M. and Johnston , R. L. 2005 . Global optimization of bimetallic cluster structures. i. size-mismatched agcu, agni, and aucu systems . J. Chem. Phy , 122 : 1 – 13 .
   Google Scholar
• Wales , D. J. 2003 . Energy Landscapes , Cambridge, , UK : Cambridge University Press .
   Google Scholar
• Wales , D. J. and Doye , J. P.K. 1997 . Global optimization by basin-hopping and the lowest energy structures of Lennard-Jones clusters containing up to 110 atoms . J. Phy. Chem. A , 101 : 5111 – 5116 .
   Web of Science ®Google Scholar
• Wales , D. J. , Doye , J. P.K. , Hodges , M. P. and Calvo , F. 2008 . The Cambridge Cluster Database . Software available at, http://www-wales.ch.cam.ac.uk/CCD.html
   Google Scholar