Postdoctoral Scientist, Autonomous NMR Characterization

About the role

The Molecular Characterization team within Lilly Small Molecule Discovery (LSMD) is building the next generation of automated analytical capabilities, with the goal of extracting more chemical information from every measurement and freeing expert scientists to focus on the hardest problems across our drug-discovery and development portfolio.

Responsibilities

• 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.
• Prepare and characterize pharmaceutical compounds and mixtures, acquiring high-quality 1D and 2D NMR data across a fleet of high-field spectrometers.
• 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 TopSpin 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.

Requirements

Basic Qualifications:

• 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.

Preferred Knowledge, Skills, Abilities, Experiences:

• 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.
• Familiarity with additional analytical methods such as LC-MS, GC-MS, or IR.
• Experience with NMR automation or pulse-sequence-level work (e.g., TopSpin, IconNMR).
• Experience with scientific software development.
• Experience with Bayesian optimization, active learning, or autonomous experimentation.
• Familiarity with multivariate or chemometric analysis (e.g., PCA, PLS, PARAFAC).
• Expertise in Bruker NMR hardware and TopSpin/IconNMR software; familiarity with analytical data processing software such as MestReNova/Mestre or ACD.
• 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.

Qualifications

• Advanced Molecule Design (AMD) is dedicated to optimizing molecules into strong drug candidates that become breakthrough medicines for patients.
• Discovery Chemistry Technologies (DCT), a key function within AMD, provides critical scientific expertise and technology solutions that support molecule optimization and scale-up efforts.
• The Molecular Characterization Team serves as the definitive scientific authority on molecular structure, identity, and other chemistry insights across Lilly’s small molecule discovery portfolio.

Skills

• 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., TopSpin, IconNMR).
• Experience with scientific software development.
• Experience with Bayesian optimization, active learning, or autonomous experimentation.
• Familiarity with multivariate or chemometric analysis (e.g., PCA, PLS, PARAFAC).
• Expertise in Bruker NMR hardware and TopSpin/IconNMR software; familiarity with analytical data processing software such as MestReNova/Mestre or ACD.
• Learning agility — demonstrated ability to rapidly acquire new technical skills and apply them to evolving characterization challenges.

Benefits

Lilly offers a comprehensive benefits package including medical, dental, vision, retirement savings plan, paid time off, and more.

Pay

The salary range for this position is $80,000 - $120,000 annually.

Schedule

This is an onsite, lab-based position based in Louisville, CO. The role will require hands-on work with chemical reagents, synthetic equipment, and analytical instrumentation in a research laboratory setting.