A genetic algorithm for Lennard-Jones atomic clusters Original Research Article

In regard to the problem of determining minimum L-J configurations for clusters of n atoms, we present here a genetic algorithm able to reproduce all best-known solutions in the 13 < n < 147 size range. These include not only the classical structures adhering to the icosahedral-growth, but also seven icosahedral structures with incomplete core, six more following the Marks decahedron geometry, and the unique (n = 38) face-centered cubic configuration that has been found in this range.