Postdoctoral Scientist, Autonomous NMR Characterization

Lilly • Louisville, CO

29d • $58,000 - $123,200 • Onsite

About The Position

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. 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. The ideal candidate has strong attention to detail, excellent problem-solving skills, a high level of learning agility, and the willingness to move fluidly between the spectrometer and the codebase while collaborating across analytical, medicinal, and process chemistry teams. We are an innovative and dynamic group committed to advancing the tools and methods that help us make life better for patients around the globe.

The Lilly Small Molecule Discovery (LSMD) group is an organization purpose-built to create molecules that make life better for people. We focus on using innovative science to unlock novel approaches that can treat people suffering from diseases with poor treatment options. We continually challenge ourselves to deliver molecules that can provide breakthrough efficacy with the highest possible safety margins. We are dedicated to optimizing our mindset, technology, and processes for faster, more nimble execution. Our success is built on a culture that empowers innovative problem-solving through open collaboration and individual accountability.

Advanced Molecule Design (AMD) is dedicated to optimizing molecules into strong drug candidates that become breakthrough medicines for patients. AMD brings together core functional areas — medicinal chemistry, synthetic chemistry, analytical chemistry, computational chemistry, and molecular pharmacology — to accelerate the identification and advancement of high-quality small molecule candidates across a breadth of modalities and therapeutic areas.

Discovery Chemistry Technologies (DCT), a key function within AMD, provides critical scientific expertise and technology solutions that support molecule optimization and scale-up efforts. Within DCT, 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. The team primarily applies advanced NMR spectroscopy, mass spectrometry, and complementary analytical techniques to solve the most complex structural elucidation, reaction characterization, and conformational challenges — delivering the molecular-level insights that enable discovery chemistry teams to make confident, rapid compound progression decisions. Team members are expected to embrace collaboration, adopt a forward-thinking and growth-oriented mindset, and take individual responsibility for their scientific contributions and professional development.

Requirements

• 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 and 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

Nice To Haves

• 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., 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
• 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

Responsibilities

• 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 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

Benefits

• company bonus (depending, in part, on company and individual performance)
• company-sponsored 401(k)
• pension
• vacation benefits
• eligibility for medical, dental, vision and prescription drug benefits
• flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts)
• life insurance and death benefits
• certain time off and leave of absence benefits
• well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities)

What This Job Offers

• Job Type: Full-time
• Career Level: Entry Level
• Education Level: Ph.D. or professional degree