Structure and Stability Prediction of Compounds with Evolutionary Algorithms
Author:
Publisher
Springer International Publishing
Link
http://link.springer.com/content/pdf/10.1007/128_2013_489
Reference117 articles.
1. van Dover RB, Schneemeyer L, Fleming R (1998) Discovery of a useful thin-film dielectric using a composition-spread approach. Nature 392(6672):162–164
2. Bush TS, Catlow CRA, Battle PD (1995) Evolutionary programming techniques for predicting inorganic crystal structures. J Mater Chem 5:1269–1272
3. Ceder G, Morgan D, Fischer C, Tibbetts K, Curtarolo S (2006) Data-mining-driven quantum mechanics for the prediction of structure. MRS Bull 31(12):981–985
4. Goedecker S (2004) Minima hopping: an efficient search method for the global minimum of the potential energy surface of complex molecular systems. J Chem Phys 120:9911
5. Martoňnák R, Laio A, Parrinello M (2003) Predicting crystal structures: the Parrinello–Rahman method revisited. Phys Rev Lett 90(7):075503
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