In brief, this multiscale simulation strategy involves using coarse-grained molecular dynamics (MD) simulations to probe the region between two adjacent functionalized nanoparticles. Such simulations provide means for characterizing the effective pair interactions be-tween functionalized nanoparticles, as well as the spatial distribution of the cations and their local (i.e., position-dependent) diffusivity. This information serves as input for an on-lattice, mesoscale model of the nanoparticle-based electrolyte in which kinetic Monte Carlo (kMC) simulations are used to simulate transport of cations through the given nanoparticle configuration. The bulk diffusivity of cations D kMC is then calculated from the resulting cation trajectories using the Einstein-Smoluchowski relation,