Principal Chemist

Job description

The Principal Chemist on the RD&E AI Technologies team executes key elements of the RD&E AI strategy by developing and applying computational chemistry, molecular modeling, and data-driven methods to RD&E problems. This role partners with chemists, engineers, and digital/data teams to translate high-impact RD&E questions into fit-for-purpose models, workflows, and decision-support tools that accelerate innovation and improve operational efficiency. The role also contributes to building sustainable, AI-ready scientific data foundations and promotes responsible AI practices across RD&E. What you will do: Execute on the RD&E AI playbook by delivering computational chemistry and AI-enabled capabilities that measurably accelerate RD&E innovation and operational efficiency. Develop, run, and interpret computational chemistry and molecular modeling approaches appropriate to the business question (e.g., quantum chemistry/DFT, molecular mechanics, MD, QSPR/QSAR, cheminformatics descriptors and featurization, surrogate modeling). Build data pipelines and reusable analysis to curate, clean, and structure chemical and experimental data to enable AI-ready datasets and reproducible modeling. Cre...