Minimum inter-particle distance at global minimizers of Lennard-Jones clusters

DOI10.1023/A:1008284629099zbMath0891.90172OpenAlexW1593869272MaRDI QIDQ1374373

J. Ning

Publication date: 27 July 1998

Published in: Journal of Global Optimization (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1023/a:1008284629099

zbMATH Keywords

Lennard-Jones clustersmolecular conformationpotential energyprotein foldingminimum inter-particle distance

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Nonlinear programming (90C30) Biochemistry, molecular biology (92C40)

Related Items (11)

Improved bounds for interatomic distance in Morse clusters ⋮ Minimization of energy per particle among Bravais lattices in ℝ²: Lennard–Jones and Thomas–Fermi cases ⋮ An \(O(n)\) time hierarchical tree algorithm for computing force field in \(n\)-body simulations ⋮ Local search based heuristics for global optimization: atomic clusters and beyond ⋮ On the global minimum of the classical potential energy for clusters bound by many-body forces ⋮ New bounds for Morse clusters ⋮ Fast evaluation of potential and force field in particle systems using a fair-split tree spatial structure ⋮ New results for molecular formation under pairwise potential minimization ⋮ A cost optimal parallel algorithm for computing force field in \(N-\)body simulations on a CREW PRAM ⋮ Global optimization methods for high-dimensional problems ⋮ DC Programming and DCA for Challenging Problems in Bioinformatics and Computational Biology

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