Here we show coarse-grained (CG) molecular simulations that allow us to enter in a realistic colloidal lattice model at submolecular resolution, and to reconstruct in great detail the mobility of the EAs and key factors that control the conductive properties of the supercrystal. Using FCC superlattices of TMA-NPs (AAs) coassembled with CIT ions (EAs) as case study, we designed in silico ohmic experiments that enable the systematic study of the ion diffusion throughout the lattice upon the application of an external electric field.