title: Predicting complex mineral structures using genetic algorithms.
abstract: We show that symmetry-adapted genetic algorithms are capable of finding the ground state of a range of complex crystalline phases including layered- and incommensurate super-structures. This opens the way for the atomistic prediction of complex crystal structures of functional materials and mineral phases.
authors.affiliation: Centre for Earth Evolution and Dynamics (CEED), University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway.
authors.forename: Chris E
authors.initials: CE
authors.lastname: Mohn
authors.forename: Walter
authors.initials: W
authors.lastname: Kob
mesh_terms: D000465:Algorithms; D003460:Crystallization; D008903:Minerals / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
chemical_list: D008903:Minerals