This National Science Foundation (NSF) Engineering program (CFDA 47.041) Project Grant award to Cornell University provides $371,708 of funding for research aimed at developing heuristic rules to enhance the stability and kinetic accessibility of nanoparticle superlattices. The key products of this 3-year project include: 1) Formulating and testing molecular-simulation based heuristic rules to predict the correlation between nanoparticle interactions and their self-assembly into target superlattice structures, both pure-component and multicomponent crystals; 2) Investigating the role of entropic effects, utilizing particle shapes like polyhedra and patchy particles; and 3) Disseminating relevant research findings through academic forums and educational outreach initiatives. This work is expected to advance fundamental scientific knowledge in the area of nanoparticle-based materials, with potential applications in catalysts, photonics, and smart inks.