Manufacturing has considerable economical, technological, and environmental importance at the global scale, impacting fields such as transportation, energy, safety, and healthcare, among others. In this sector, due to the complex links existing between materials processing, microstructure, properties, and their performance, the discovery of new materials has, for centuries, relied on costly and ineffective trial-and-error experiments. However, with the advent of high-performance computing, this paradigm is ready to be guided and made substantially more efficient (in terms of both time and resources) by the use of “computational experiments”, provided that the appropriate physics and scales are appropriately integrated. Within this context, the key objective of this project is to build a computational infrastructure for computational exploration of alloys, by adapting, combining, and linking together different materials models, at different scales, and with different purposes – e.g. models linking processing to microstructures to other models linking microstructures to properties. With a strong focus on metallic materials produced by solidification processing (e.g. casting, welding, or additive manufacturing), this project shapes the foundations for computational discovery of structural materials and the optimization of metallurgical process.