ID4 addresses the prediction of dynamical processes in materials. This includes ion and molecular transport, catalytic pathways, phase transformations in metamaterials, and the synthesis of porous frameworks. They focus on designing complex dynamical materials and structures and discovering new mechanisms and pathways. Their data science developments target strategies for encoding complex systems for machine intelligence, enhancing predictive capabilities, and advancing visualization, all fueled through large-scale simulations. ID4 addresses new representations of complex materials and geometrical structures, explores high-dimensional, time-dependent design spaces, and builds visual analytics tools for human-in-the-loop design feedback. They grow and unite the data-driven design community through outreach and community activities, building a new generation of STEM talent at the intersection of data science and physical sciences/engineering. Read the entire award abstract here.