USPEX - Evolutionary crystal structure prediction

      Colin W. Glass, Artem R. Oganov, Nikolaus Hansen

  We approach the problem of computational crystal structure
  prediction, implementing an evolutionary algorithm - USPEX (Universal
  Structure Predictor: Evolutionary Xtallography). Starting from
  chemical composition we have tested USPEX on numerous systems (with
  up to 80 atoms in the unit cell) for which the stable structure is
  known and have observed a success rate of nearly 100%,
  simultaneously finding large sets of competitive metastable
  structures. Here focus is on implementation and discussion of our
  method.

Comp. Phys. Comm. 175, pp. 713-720