A List of the Global minimal Energies and Coordninates of the LJ Clusters

Click LJ151-309, LJ310-561, LJ562-1000, and LJ1001-1610 for the zipped TAR files.



(1) Cai W. S., Jiang H. Y., Shao X. G. Global Optimization of Lennard-Jones Clusters by a Parallel Fast Annealing Evolutionary Algorithm, J. Chem. Inf. Comput. Sci., 2002, 42, 1099-1103.

(2) Cai W. S., Feng Y., Shao X. G., Pan Z. X. Optimization of Lennard-Jones atomic clusters, J. Mol. Struct.: THEOCHEM, 2002, 579, 229-235.

(3) Jiang H. Y., Cai W. S, Shao X. G. A random tunneling algorithm for the structural optimization problem, Phys. Chem. Chem. Phys., 2002, 4, 4782-4788.

(4) Jiang H. Y., Cai W. S., Shao X. G. New Lowest Energy Sequence of Marks' Decahedral Lennard-Jones Clusters Containing up to 10 000 Atoms, J. Phys. Chem. A, 2003, 107, 4238-4243.

(5) Shao X. G., Jiang H. Y., Cai W. S., Parallel Random Tunneling Algorithm for Structural Optimization of Lennard-Jones Clusters up to N=330, J. Chem. Inf. Comput. Sci., 2004, 44, 193-199.

(6) Shao X. G., Xiang Y. H., Cai W. S., Formation of the Central Vacancy in Icosahedral Lennard-Jones Clusters, Chem. Phys., 2004, 305, 69-75.

(7) Cheng L. J, Cai W. S., Shao X. G., A connectivity table for cluster similarity checking in the evolutionary optimization method. Chemical Physics Letters, 2004, 389(4-6):309-314.

(8) Shao X. G, Cheng L. J., Cai W. S., An adaptive immune optimization algorithm for energy minimization problems, Journal of Chemical Physics, 2004, 120 (24): 11401-11406.

(9) Xiang Y. H., Jiang H. Y., Cai W. S., Shao X. G., An efficient method based on lattice construction and the genetic algorithm for optimization of large Lennard-Jones clusters, Journal of Physical Chemistry A, 2004, 108(16):3586-3592

(10) Xiang Y. H., Cheng L. J., Cai W. S.,  Shao X. G., Structural distribution of Lennard-Jones clusters containing 562 to 1000 atoms, Journal of Physical Chemistry A, 2004, 108, 9516-9520

(11)Xueguang Shao, Longjiu Cheng, Wensheng Cai, A dynamic lattice searching method for fast optimization of Lennard-Jones clusters, Journal of Computational Chemistry, 2004, 25(14):1693-1698

(12)Longjiu Cheng, Wensheng Cai, Xueguang Shao, Geometry optimization and conformation analysis of (C60)N clusters by using a dynamic lattice-searching method, ChemPhysChem, 2005, 6(2):261-266

(13)Longjiu Cheng, Wensheng Cai, Xueguang Shao, An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods, Chemical Physics Letters, 2005, 404(1-3):182-186

(14)Xueguang Shao, Yuhong Xiang, Wensheng Cai, Structural Transition from Icosahedra to Decahedra of Large Lennard-Jones Clusters, Journal of Physical Chemistry A, 2005, 109(23):5193-5197