2026 R&D100 Award Winner
Architector 2.0 automatically builds and evaluates chemically realistic three-dimensional models of metal–ligand complexes across the periodic table from minimal chemical input. By generating multiple plausible structures and ranking them using physics-based and data-driven methods, the software enables rapid exploration of complex inorganic chemical space, including difficult rare earth and actinide systems. This capability reduces the time, cost and uncertainty of molecular design and supports discovery in catalysis, nuclear fuel cycle science, energy technologies and advanced materials.
