Agentic AI Scientist for Scientific Discovery

Argonne National Laboratory; United States; Hybrid; USD 94,000 - 147,000; Full time

Job summary

Argonne National Laboratory seeks a Staff Scientist - Agents for Science to pioneer agentic AI systems that can reason, plan, act, and collaborate across data, simulations, instruments, and workflows. You will join the AI group in a multidisciplinary setting with experts in AI, simulation, and domain science.

The role advances AI agents in scientific environments, deploying at HPC scale, and aligning with the Genesis mission.

Qualifications

• Bachelor’s degree and 5+ years of experience, or Master’s degree and 3+ years, or PhD and 0+ years of experience
• Educational background in computer science, machine learning, artificial intelligence, computational science, applied mathematics, or a related field; PhD preferred
• Experience with reinforcement learning, planning, or sequential decision-making
• Strong programming skills in Python, C, or C++ and experience with AI frameworks such as PyTorch or JAX

Responsibilities

• Design agentic AI systems for scientific discovery that can reason, plan, retrieve information, invoke tools, and execute multi-step scientific tasks
• Interact with simulation workflows, data pipelines, scientific software, instruments, knowledge bases, and computational tools
• Build methods for tool use, workflow orchestration, memory, planning, adaptation, and decision-making in scientific environments
• Evaluate agent performance in terms of scientific usefulness, reliability, robustness, efficiency, and safety
• Contribute to Argonne's strategic mission in computation, AI, and scientific discovery
• Foster a culture of collaboration, excellence, and inclusive professional growth

Skills

Python

C

C++

Reinforcement learning

Communication

Teamwork

Education

Bachelor's degree in CS/related field

Master's degree in CS/AI/related field

PhD

Tools

PyTorch

JAX

Job description

Argonne National Laboratory seeks a Staff Scientist - Agents for Science to pioneer agentic AI systems that can reason, plan, act, and collaborate across data, simulations, instruments, and workflows. You will join the AI group in a multidisciplinary setting with experts in AI, simulation, and domain science.

The role advances AI agents in scientific environments, deploying at HPC scale, and aligning with the Genesis mission.