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CPP: Fachverband Chemische Physik und Polymerphysik

CPP 11: New Instruments and Methods

CPP 11.1: Topical Talk

Dienstag, 27. März 2012, 09:30–10:00, C 243

Employing natural search strategies for complex optimization problems — Christoph Schiffmann and •Daniel Sebastiani — Freie Universität Berlin

The Artificial Bee Colony algorithm¹ is a stochastic optimization scheme that mimics the foraging behavior of honey bees. As one of the most recently developed “nature-inspired” algorithms, this approach has turned out to perform very efficiently in global optimization problems from engineering and computer science.

We apply the Artificial Bee Colony algorithm to optimization problems² in chemical physics, specifically within ab-initio electronic structure theory. This field is a case in point for highly corrugated potential surfaces which render deterministic approaches unfeasible.

¹ Karaboga, D. & Basturk, B. J. Glob. Optim., 2007, 39(3), 459–471.

² Schiffmann, C. & Sebastiani, D. J. Chem. Theory Comput., 2011, 7(5), 1307–1315.