An Effective Simulated Annealing-Based Mathematical Optimization Algorithm for Minimizing the Lennard-Jones Potential

Abstract:

The Lennard-Jones (LJ) Potential Energy Problem is to construct the most stable form of N atoms of a molecule with the minimal LJ potential energy. This problem has a simple mathematical form Minimize subject to Where ,is the coordinates ofatom. This paper is to minimize the L-J potential on ,where n = 3N. however it is a challenging and diffcult problem for many optimization methods when N is larger. This paper presents an effective mathematical optimization algorithm for minimizing the LJ Potential and a series of elegant optimal solutions of atoms up to 310 were got.

• Periodical: Key Engineering Materials (Volumes 474-476)
• Pages: 2213-2216
• DOI: https://doi.org/10.4028/www.scientific.net/KEM.474-476.2213
• Online since: April 2011
• Authors: Guo Cheng Li
• Keywords: Annealing- Based Algorithm, Mathematical Optimization Algorithm, Optimal Lennard-Jones Potential

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