A Hybrid LBFGS-DE Algorithm for Global Optimization of the Lennard-Jones Cluster Problem
Abstract
ExcerptThe Lennard-Jones cluster conformation problem is to determine a configuration of n atoms in three-dimensional space where the sum of the nonlinear pairwise potential function is at a minimum. In this formula, ri,j is the distance between atoms i and j. This optimization problem is a severe test for global optimization algorithms due to its computational complexity: the number of local minima grows exponentially large as the number of atoms in the cluster is increased. As a specific test case, a better cluster configuration than the previously published putative minimum for the 38-atom case was found in the mid-1990s.
Published
2007-07-13
How to Cite
ADORIO, Ernesto Padernal; CORPUS, Bobby Ondoy.
A Hybrid LBFGS-DE Algorithm for Global Optimization of the Lennard-Jones Cluster Problem.
Science Diliman: A Journal of Pure and Applied Sciences, [S.l.], v. 16, n. 2, july 2007.
ISSN 2012-0818.
Available at: <https://journals.upd.edu.ph/index.php/sciencediliman/article/view/114>. Date accessed: 05 aug. 2025.
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