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Protein AI/ML and Quantum Computing Postdoctoral Researcher

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Develop protein structure-based machine learning and quantum computing methods for biosecurity research at Los Alamos National Laboratory. Improve model architectures, add generative capabilities, and apply quantum topological data analysis to protein structural dynamics. Requires a recent PhD in a computational STEM field, ML or quantum computing experience, HPC proficiency, and U.S. citizenship or permanent residency.

Key Highlights
Three onsite postdoctoral positions in protein AI/ML and quantum computing
Focus on protein structure-based ML models and quantum analysis of protein dynamics
Requires recent PhD in computational STEM field and U.S. citizenship or permanent residency
HPC, scientific software development, and ML or quantum computing experience required
Relocation package available for candidates outside a 50-mile radius
Key Responsibilities
Improve the current model architecture
Add generative capabilities
Develop models for specific applications of national interest
Extend support to more general biomolecular interactions
Apply quantum topological data analysis and other quantum computing methods to analyze protein structural dynamics
Estimate quantum computing resource requirements
Develop and execute quantum code
Lead spin-off side projects
Present at conferences and publish in scientific journals
Technical Skills Required
Machine Learning High-Performance Computing Scientific Software Development
Benefits & Perks
PPO or High Deductible medical insurance with the same large nationwide network
Dental and vision insurance
Free basic life and disability insurance
Paid childbirth and parental leave
Award-winning 401(k) (6% matching plus 3.5% annually)
Learning opportunities and tuition assistance
Flexible schedules and time off (PTO and holidays)
Onsite gyms and wellness programs
Extensive relocation packages (outside a 50 mile radius)
Nice to Have
Solid understanding of protein folding physics and molecular dynamics simulation
Experience developing machine learning models for proteins
Understanding of sampling methods for generative AI
Familiarity with agentic workflows
Familiarity with error mitigation and resource estimation (Quantum Computing position)

Job Description

What You Will Do

Our team applies AI/ML and quantum computing to some of the most challenging problems in biosecurity. We are hiring three postdoctoral researchers to develop protein structure-based machine learning models and apply these models to study immune protein interactions, protein-small molecule bindings, and protein-metal interactions. All positions offer the opportunity to lead spin-off side projects alongside the main research direction set by the mentors, as well as to present at conferences and publish in scientific journals.

Depending on the candidate's background, appointments may be shared with other LANL divisions. All positions are onsite only.

Protein AI/ML Postdocs

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