Postdoctoral Scientist, Autonomous NMR Characterization

Biopharma Careers; Louisville (KY); On-site; USD 58,000 - 123,000; Full time

Job summary

Lilly invites applications for a Postdoctoral Scientist, Autonomous NMR Characterization (LSMD) based in Louisville, CO. The role focuses on building an autonomous NMR platform that decides what to measure and when, using Bayesian optimization and data-driven strategies.

You will work across analytical and medicinal chemistry teams, develop software interfaces, and apply advanced NMR techniques to extract maximal information per measurement.

Qualifications

• PhD in chemistry, analytical chemistry, computational chemistry, cheminformatics or related with completion by Oct 2026.

Responsibilities

• Keep safety as top priority in lab and computational work.
• Prepare and characterize compounds using 1D/2D NMR data across multiple spectrometers.
• Develop and validate an autonomous NMR characterization platform that optimizes acquisition and data processing.
• Design, set up and run reactions; monitor in situ by NMR to track species.
• Apply modern analytic/computational methods including Bayesian optimization and machine learning.
• Build reproducible software and automate workflows using TopSpin API.
• Collaborate across analytical, medicinal, and process chemistry to translate methods to tools.

Skills

Python/R programming

NMR data analysis

TopSpin API

Software development

Analytical thinking

Education

PhD in chemistry or related

Tools

TopSpin

IconNMR

Job description

Postdoctoral Scientist, Autonomous NMR Characterization (LSMD)

At Lilly, the work is demanding because patients are waiting. We unite caring with discovery to help make life better for people around the world, knowing that every decision, every detail, and every day matters. Headquartered in Indianapolis, Indiana, our over 50,000 employees around the globe take on complex challenges to discover and deliver life-changing medicines, strengthen how health is understood and managed, and support the communities we serve. This is hard, urgent, selfless work, but it’s work worth doing. If you’re driven by purpose and ready to bring your best to work that truly matters for patients, we invite you to join us.

Postdoctoral Scientist, Autonomous NMR Characterization (LSMD)

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our 35,000 employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first. We’re looking for people who are determined to make life better for people around the world.

Do you have a strong interest in analytical chemistry, foundational NMR experience, and a passion for building tools that other scientists use every day? Whether your strength is at the spectrometer, in scientific software development, or in Bayesian optimization and autonomous experimentation, if you are excited to help build the first autonomous, agentic NMR characterization platform, one that reasons about what to measure, optimizes each measurement, and decides when enough data has been collected,

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.

Organization Overview

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)

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)

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.

We are looking for someone who can:

• 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

We will consider a broad range of experiences for our open positions.

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. 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.

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


• 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

Additional Information

This is an onsite, lab‑based position based in Loiusville CO.

This position is not permanent. It is a fixed‑term position up to 2 years with a possible 2 year extension.

Physical Demands

The physical demands of this job are consistent with both a laboratory and an office/computational environment.

The physical demands here are representative of those that must be met by an employee to successfully perform the essential functions of this job.

Work Environment

This position’s work environment includes both a laboratory and an office/computational setting. The role will be requiring hands‑on work with chemical reagents, synthetic equipment, and analytical instrumentation in a research laboratory setting. Standard personal protective equipment is required, and the scientist may occasionally support work across multiple lab spaces or collaborate in office and meeting environments.

The work environment characteristics described here are representative of those an employee encounters while performing the essential functions of this job.

To perform this job successfully, an individual must be able to perform the role and responsibilities satisfactorily. The requirements listed above are representative of those that must be met by an employee to successfully perform the essential functions of this job. Reasonable accommodations may be made to enable individuals with disabilities to perform the essential functions.

Eli Lilly and Company, Lilly USA, LLC and our wholly owned subsidiaries (collectively “Lilly”) are committed to help individuals with disabilities to participate in the workforce and ensure equal opportunity to compete for jobs. If you require an accommodation to submit a resume for a position at Lilly, please email Lilly Human Resources ([e-mail]) for further assistance.

Lilly is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status.

Our employee resource groups (ERGs) offer strong support networks for their members and help our company develop talented individuals for future leadership roles. Our current groups include: Africa, Middle East, Central Asia Network, African American Network, Chinese Culture Network, Early Career Professionals, Japanese International Leadership Network (JILN), Lilly India Network, Organization of Latinos at Lilly, PRIDE (LGBTQ + Allies), Veterans Leadership Network, Women’s Network, Working and Living with Disabilities. Learn more about all of our groups.

#WeAreLilly

Lilly is dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions. Please note this is for individuals to request an accommodation as part of the application process and any other correspondence will not receive a response.

Lilly is proud to be an EEO Employer and does not discriminate on the basis of age, race, color, religion, gender identity, sex, gender expression, sexual orientation, genetic information, ancestry, national origin, protected veteran status, disability, or any other legally protected status.

Our employee resource groups (ERGs) offer strong support networks for their members and are open to all employees. Our current groups include: Africa, Middle East, Central Asia (AMECA), Black Employees at Lilly (BE@Lilly), Chinese Culture Network (CCN), EnAble, Evolve, Lilly Indian Network (LIN), Organization of Latinx at Lilly (OLA), Pride (LGBTQ+ Allies), Veterans Leadership Network (VLN) and Women’s Initiative for Leading at Lilly (WILL).

Actual compensation will depend on a candidate’s education, experience, skills, and geographic location. The anticipated wage for this position is $58,000 - $123,200.

Full‑time equivalent employees also will be eligible for a company bonus (depending, in part, on company and individual performance). In addition, Lilly offers a comprehensive benefit program to eligible employees, including eligibility to participate in a 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; and well‑being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities). Lilly reserves the right to amend, modify, or terminate its compensation and benefit programs in its sole discretion and Lilly’s compensation practices and guidelines will apply regarding the details of any promotion or transfer of Lilly employees.

#WeAreLilly