Structural optimization of Lennard-Jones clusters by a genetic algorithm

DM Daven, N Tit, JR Morris, KM Ho - Chemical physics letters, 1996 - Elsevier
We use a newly-developed genetic algorithm to determine the lowest energy atomic
configurations of 2–100 atoms in the Lennard-Jones potential. Our method, which contains
no bias to specific symmetries, yields structures which are identical to or are lower in energy
than all previously published structures.
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