Postdoctoral Scientist, Autonomous NMR Characterization

Postdoctoral Scientist, Autonomous NMR Characterization (LSMD)

The Molecular Characterization team within Lilly Small Molecule Discovery (LSMD) is building the next generation of automated analytical capabilities. This postdoctoral role will develop an autonomous NMR characterization platform that decides what to measure, optimizes each measurement, and learns when enough data has been collected, with CRAFT time‑domain processing as the operator‑free data layer beneath these decisions.

• Keep safety as the top priority, maintaining a strong safety culture in both laboratory and computational work.
• Prepare and characterize pharmaceutical compounds and mixtures, acquiring high‑quality 1D and 2D NMR data across a fleet of high‑field spectrometers.
• Develop and validate an autonomous NMR characterization platform that optimizes acquisition parameters, selects which experiments to run, and processes data without operator intervention.
• Design, set up, and run chemical reactions using modern reaction methodologies, and monitor them in situ by NMR to track reactants, intermediates, products, and byproducts.
• Apply and extend modern analytical and computational methods, including 1D/2D NMR, time‑domain signal processing, Bayesian optimization, machine‑learning property prediction, and multivariate chemometrics.
• Build reproducible scientific software and closed‑loop instrument automation through the Top Spin Python API and related interfaces, partnering with instrument and software vendors to troubleshoot and extend capabilities.
• Collaborate across analytical, medicinal, and process chemistry to translate methods into deployed tools, and communicate results through publications and presentations.

• PhD in chemistry, analytical chemistry, computational chemistry, cheminformatics, or a related discipline with all requirements completed by October 2026.
• Qualified applicants must be authorized to work in the United States on a full‑time basis. Lilly will not provide support for or sponsor work authorization or visas for this role, including but not limited to F‑1 CPT, F‑1 OPT, F‑1 STEM OPT, J‑1, H‑1B, TN, O‑1, E‑3, H‑1B1, or L‑1.

• A record of scientific contributions, including peer‑reviewed publications, presentations, and/or patents.
• Demonstrated ability to program scientific data analysis (for example, Python or R).
• Strong interest in creating and advancing new technologies in analytical and data‑driven chemistry.
• Motivation to translate methods into deployed tools that other scientists use in production workflows.
• Hands‑on experience acquiring and interpreting 1D and 2D NMR data.
• Experience with reaction monitoring or in situ analytical techniques.
• Familiarity with additional analytical methods such as LC‑MS, GC‑MS, or IR.
• Experience with NMR automation or pulse‑sequence‑level work (e.g., Top Spin, IconNMR).
• Experience with scientific software development.
• Experience with Bayesian optimization, active learning, or autonomous experimentation.
• Familiarity with multivariate or chemo metric analysis (e.g., PCA, PLS, PARAFAC).
• Expertise in Bruker NMR hardware and Top Spin/IconNMR software; familiarity with analytical data processing software such as Mest Re Nova /Mestre or ACD.
• Proficiency with scientific informatics, data visualization, or data management tools that support analytical decision‑making and AI‑enabled workflows.
• Learning agility—demonstrated ability to rapidly acquire new technical skills and apply them to evolving characterization challenges.
• Demonstrated ability to work productively in interdisciplinary, cross‑functional, and international team environments; views personal success in the context of team success.
• Excellent English oral and written communication and the ability to engage effectively in a multidisciplinary, global team.

• This is an onsite, lab‑based position based in Louisville, CO.
• This position is not permanent. It is a fixed‑term position up to 2 years with a possible 2‑year extension.

The physical demands of this job are consistent with both a laboratory and an…