  Predicting material properties of disordered systems remains a long-standing
and formidable challenge in rational materials design. To address this issue,
we introduce an automated software framework capable of modeling partial
occupation within disordered materials using a high-throughput (HT) first
principles approach. At the heart of the approach is the construction of
supercells containing a virtually equivalent stoichiometry to the disordered
material. All unique supercell permutations are enumerated and material
properties of each are determined via HT electronic structure calculations. In
accordance with a canonical ensemble of supercell states, the framework
evaluates ensemble average properties of the system as a function of
temperature. As proof of concept, we examine the framework's final calculated
properties of a zinc chalcogenide (ZnS$_{1-x}$Se$_x$), a wide-gap oxide
semiconductor (Mg$_{x}$Zn$_{1-x}$O), and an iron alloy (Fe$_{1-x}$Cu$_{x}$) at
various stoichiometries.
