Nature exquisitely controls the arrangement of key pigments during photosynthesis to harness solar energy. Exerting reliable control over engineered molecular materials in the crucial 10-100 nanometer regime, thousands of times smaller than a millimeter, remains a challenge. This project develops functional molecular superstructures via molecular synthesis, biologically inspired self-assembly, electronic measurements, molecular simulation, and data-driven molecular discovery and engineering. The PIs guide the next generation of materials and data scientists of diverse socio-economic background while promoting tight integration and mutually reinforcing feedback between computation and experiment towards the discovery and development of multi-molecule assemblies with tailored structure and function.