title: Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry.
abstract: We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.
authors.affiliation: Dahlem Center for Complex Quantum Systems, Freie Universität Berlin, Arnimallee 14, 14195 Berlin, Germany.
authors.forename: Christoph
authors.initials: C
authors.lastname: Wehmeyer
authors.forename: Guido
authors.initials: G
authors.lastname: Falk von Rudorff
authors.forename: Sebastian
authors.initials: S
authors.lastname: Wolf
authors.forename: Gabriel
authors.initials: G
authors.lastname: Kabbe
authors.forename: Daniel
authors.initials: D
authors.lastname: Schärf
authors.forename: Thomas D
authors.initials: TD
authors.lastname: Kühne
authors.forename: Daniel
authors.initials: D
authors.lastname: Sebastiani