  We have developed an efficient and reliable methodology for crystal structure
prediction, merging ab initio total-energy calculations and a specifically
devised evolutionary algorithm. This method allows one to predict the most
stable crystal structure and a number of low-energy metastable structures for a
given compound at any P-T conditions without requiring any experimental input.
Extremely high success rate has been observed in a few tens of tests done so
far, including ionic, covalent, metallic, and molecular structures with up to
40 atoms in the unit cell. We have been able to resolve some important problems
in high-pressure crystallography and report a number of new high-pressure
crystal structures. Physical reasons for the success of this methodology are
discussed.
