In this section, we discuss the impact of D-sorbitol on the packing motif as well as the electronic properties of PEDOT:PSS. We start with an analysis of PEDOT conformations as well as PEDOT:PEDOT and PEDOT:PSS arrangement, followed by a DFT and ML based analysis of the energy levels of PEDOT oligomers and the static and dynamic energy disorder in PEDOT:PSS.