A Brief Review on Results and Computational Algorithms for ...
arXiv:1101.0039v1 [physics.comp-ph] 30 Dec 2010
A Brief Review on Results and Computational Algorithms for Minimizing the Lennard-Jones Potential
Jiapu Zhang Centre for Informatics and Applied Optimization & Graduate School of Information Technology and Mathematical Sciences, University of Ballarat, Victoria 3353, Australia
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 ! N N X X 1 1 subject to x ∈ Rn , minimize f (x) = 4 6 − τ3 τ ij ij i=1 j=1,j
A Brief Review on Results and Computational Algorithms for Minimizing the Lennard-Jones Potential
Jiapu Zhang Centre for Informatics and Applied Optimization & Graduate School of Information Technology and Mathematical Sciences, University of Ballarat, Victoria 3353, Australia
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 ! N N X X 1 1 subject to x ∈ Rn , minimize f (x) = 4 6 − τ3 τ ij ij i=1 j=1,j
