@article{27576,
  author = {Stefano Curtarolo and Dane Morgan and Kristin A Persson and John Rodgers and Gerbrand Ceder},
  title = {Predicting Crystal Structures with Data Mining of Quantum Calculations},
  abstract = {<p>Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures, or with empirical rules that have been extracted from a large amount of experimental information, but have limited predictive power. In this Letter, we transfer the concept of heuristic rule extraction to a large library of ab initio calculated information, and we demonstrate that this can be developed into a tool for crystal structure prediction.</p>},
  year = {2003},
  journal = {Physical Review Letters},
  volume = {91},
  number = {13},
  month = {09/2003},
  language = {eng},
}