Postdoctoral Research Associate interface of AI, HPC and biology in Theoretical Division

Postdoctoral Research Associate at the interface of AI, HPC and biology in Theoretical Division

Are you ready to push the boundaries of what is possible at the intersection of AI, physics‑based simulation, and biological discovery?

The Theoretical Biology and Biophysics Group at Los Alamos National Laboratory is seeking a postdoctoral researcher to join an interdisciplinary team working at the intersection of artificial intelligence (AI), structural biology, molecular dynamics (MD), and high‑performance computing (HPC). This position offers an exceptional opportunity to contribute to fundamental advances in AI and computational structural biology. As a postdoc here, you will design cutting‑edge generative models, harness exascale computing, and contribute to a new era of AI‑guided simulations and mechanistic insight.

The project will apply state‑of‑the‑art AI/ML techniques and molecular modelling and simulation techniques to study RNA folding, drug binding, and drug design.

• Experience in AI methods and molecular modelling in structural biology
• Programming skills in Python and experience developing AI pipelines
• Working knowledge of high‑performance computing environments
• Demonstrated scientific productivity (e.g., peer‑reviewed publications, open‑source tools)
• Strong communication skills and ability to collaborate across disciplines

• Familiarity with RNA modelling, multiscale simulations, or AI/ML frameworks
• Experience with coarse‑grained modelling, enhanced sampling, or structure prediction
• Interest in integrating physics‑based simulation with generative AI models
• Commitment to collaborative, interdisciplinary research

To apply ,  to Dr. Karissa Sanbonmatsu at kys
. Arrange for three letters of recommendation to be sent directly as PDFs to the same address. Applications are reviewed on a rolling basis; the position is open immediately.

• Salary range: $97,000 – $114,000 (commensurate with experience)
• Excellent benefits package including health, dental, and retirement options
• Paid maternity and parental leave
• Award‑winning 401(k) with 6% matching plus 3.5% annual add‑on
• Learning opportunities and tuition assistance
• Flexible schedules and time off (paid sick, vacation, and holidays)
• Onsite gyms and wellness programs
• Extensive relocation packages (outside a 50‑mile radius)

Los Alamos National Laboratory is an equal‑opportunity employer and supports a diverse and inclusive workforce. All employment practices are based on qualification and merit, without regard to race, color, national origin, ancestry, religion, age, sex, gender identity, sexual orientation, pregnancy, status as a protected veteran, genetic information, or citizenship within the limits imposed by federal laws and regulations.