IRG1, Predictive Assembly, shifts the paradigm of materials synthesis by creating a computation-driven framework for understanding, predicting, and designing how shaped nanocomponents (derived from polymers, proteins, nanocrystals) are used as building blocks for mesoscale matter. IRG1 couples experimental and computational tools and techniques in four research thrusts: (1) Mapping Free Energy Landscapes, (2) Rational Building-Block Synthesis, (3) Exploring Mesophase Space, and (4) Characterizing Dynamics & Defects. IRG1 connects theorists specializing in different length and time domains to employ the most advanced computational tools available to understand and design assembly processes that have to-date been intractable due to their complexity.