In recent years, conjugated polymers (CPs) have been of substantial research interest as new materials for use in a variety of optoelectronic devices, such as organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), and organic photovoltaics (OPVs) . CPs have several advantages over conventional inorganic materials including their relatively low cost and roll-to-roll processability . Polythiophenes have been widely studied in semiconductor applications due to the tunability of their electronic properties via substitution and sequence control , as well as their environmental stability . It has been shown that OLED, OFET, and OPV device performances are related to the frontier molecular orbital (FMO) energies of the conjugated polymers from which they are composed . This dependence of device performance on polymer FMO energies necessitates an efficient methodology for predicting these energies to streamline the discovery of new compounds for use in next generation optoelectronic devices.