USPEX 10.2 manual: Key USPEX papers

1.3 Key USPEX papers

Oganov A.R., Glass C.W. (2006). Crystal structure prediction using evolutionary algorithms: principles and applications. J. Chem. Phys., 124, 244704.
Oganov A.R., Stokes H., Valle M. (2011). How evolutionary crystal structure prediction works — and why. Acc. Chem. Res., 44, 227–237.
Lyakhov A.O., Oganov A.R., Stokes H., Zhu Q. (2013). New developments in evolutionary structure prediction algorithm USPEX. Comp. Phys. Comm., 184, 1172–1182.
Zhu Q., Oganov A.R., Glass C.W., Stokes H. (2012). Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications. Acta Cryst. B, 68, 215–226.
Zhu Q., Li L., Oganov A.R., Allen P.B. (2013). Evolutionary method for predicting surface reconstructions with variable stoichiometry. Phys. Rev. B, 87, 195317.
Zhu, Q., Sharma V., Oganov A.R., Ramprasad R. (2014). Predicting polymeric crystal structures by evolutionary algorithms. J. Chem. Phys., 141, 154102.
Lyakhov A.O., Oganov A.R., Valle M. (2010). Crystal structure prediction using evolutionary approach. In: Modern methods of crystal structure prediction (ed: A.R. Oganov), Berlin: Wiley-VCH.
Oganov A.R., Ma Y., Lyakhov A.O., Valle M., Gatti C. (2010). Evolutionary crystal structure prediction as a method for the discovery of minerals and materials. Rev. Mineral. Geochem., 71, 271–298.
Duan, D., Liu, Y., Tian, F., Li, D., Huang, X., Zhao, Z., Yu, H., Liu, B., Tian, W., Cui, T. (2014). Pressure-induced metallization of dense (H $_2$ S) $_2$ H $_2$ with high- $T_ c$ superconductivity. Sci. Rep., 4, 6968.
Bushlanov P.V., Blatov V.A., Oganov A.R. (2019). Topology-based crystal structure generator. Comp. Phys. Comm., DOI: 10.1016/j.cpc.2018.09.016.
Lepeshkin S.V., Baturin V.S., Uspenskii Yu.A., Oganov A.R. (2019). Method for simultaneous prediction of atomic structure of nanoclusters in a wide area of compositions. J. Phys. Chem. Lett. 10, 102-106.
Allahyari Z., Oganov A.R. (2018). Multi-objective optimization as a tool for materials design. In:.Handbook of Materials Modeling (ed. W. Andreoni, S. Yip). Volume 2 Applications: Current and Emerging Materials. Springer Verlag.