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Predicting complex mineral structures using genetic algorithms
1Centre for Earth Evolution and Dynamics (CEED), University of Oslo, PO Box 1033 Blindern, N-0315 Oslo, Norway.
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.
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