In contrast to the perfect periodic bulk materials, now computational approaches are moving towards modeling ‘real’ materials or solid solutions with dopants, dislocations, grain boundaries, and interfaces . For example, the special quasirandom structures (SQS) approach is one way of modeling random alloys with statistical site occupations .
So my question is, what are other ab initio/theoretical approaches of modeling disorder in materials and what disorder are they good at modeling?
 Yang, Y., Chen, C., Scott, M. et al. Deciphering chemical order/disorder and material properties at the single-atom level. Nature 542, 75–79 (2017). https://doi.org/10.1038/nature21042
 Alex Zunger, S.-H. Wei, L. G. Ferreira, and James E. Bernard Special quasirandom structures Phys. Rev. Lett. 65, 353 – Published 16 July 1990