Nanoparticle ionic materials (NIMS) is a new class of recently discovered organic-inorganic hybrids that combine organic polymers and inorganic structures in a single tunable platform. The goal of this project is to develop a hierarchy of simulation models that capture the unique interactions in NIMS at multiple length scales. The simulations will be validated against experiments and also allow for predictions (e.g., for new NIMS or untested solutes) to guide experimental work.