USPEX 10.5 manual
USPEX 10.5 manual : Features, aims and history of USPEX : Key USPEX papers

1.3 Key USPEX papers

  1. Oganov A.R., Glass C.W. (2006). Crystal structure prediction using evolutionary algorithms: principles and applications. J. Chem. Phys., 124, 244704.

  2. Oganov A.R., Stokes H., Valle M. (2011). How evolutionary crystal structure prediction works — and why. Acc. Chem. Res., 44, 227–237.

  3. 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.

  4. 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.

  5. 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.

  6. Zhu, Q., Sharma V., Oganov A.R., Ramprasad R. (2014). Predicting polymeric crystal structures by evolutionary algorithms. J. Chem. Phys., 141, 154102.

  7. 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.

  8. 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.

  9. 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.

  10. Bushlanov, P. V., Blatov, V. A., Oganov, A. R. (2019). Topology-based crystal structure generator. Computer Physics Communications, 236, 1-7.

  11. 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.

  12. 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.

  13. Allahyari, Z., Oganov, A. R. (2018). Multi-objective optimization as a tool for material design. Handbook of Materials Modeling, 1-15.

USPEX 10.5 manual