Global optimization of clusters, crystals, and biomolecules.

@article{Wales1999GlobalOO,
  title={Global optimization of clusters, crystals, and biomolecules.},
  author={David J. Wales and Harold A. Scheraga},
  journal={Science},
  year={1999},
  volume={285 5432},
  pages={
          1368-72
        }
}
Finding the optimal solution to a complex optimization problem is of great importance in many fields, ranging from protein structure prediction to the design of microprocessor circuitry. Some recent progress in finding the global minima of potential energy functions is described, focusing on applications of the simple "basin-hopping" approach to atomic and molecular clusters and more complicated hypersurface deformation techniques for crystals and biomolecules. These methods have produced… CONTINUE READING

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