The search for minimum potential energy structures of small atomic clusters . Application of the ant colony algorithm
نویسندگان
چکیده
The ant colony algorithm has been applied to the problem of finding the minimal potential energy configuration of a small physical system (cluster) of atoms interacting via the Lennard–Jones phenomenological potential. The ants were positively motivated if their activity (displacement of atomic positions) leads to a lower total potential energy of the system. Starting from a random spatial distribution of atoms, during the optimalization process, the ants were able to find configurations with energies much lower than the initial ones. The optimized configurations generated by the ant colony algorithm can be used as a good starting point for classical or ab initio molecular dynamics (MD) simulations.
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