Deep expertise in at least one of homogeneous, heterogeneous, electro-, or photocatalysis; broad familiarity across reaction mechanisms and catalyst modeling workflows; working knowledge of reaction pathways, transition states, free energies, solvation, finite-temperature effects, and experimental validation. Translate industrial R&D questions and customer needs into clear computational specifications, including target systems, observables, accuracy requirements, baselines, validation data, and resource needs, in partnership with electronic structure, quantum algorithms, ML, compilation, and product teams.