Postdoctoral Appointee - Agentic AI for Autonomous Materials Characterization & Modeling jobs in United States
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Argonne National Laboratory · 3 weeks ago

Postdoctoral Appointee - Agentic AI for Autonomous Materials Characterization & Modeling

Argonne National Laboratory is seeking a Postdoctoral Appointee to develop and implement pioneering agentic AI workflows for autonomous materials characterization. The role involves creating an AI system that operates complex instruments and runs simulations to accelerate discovery, requiring collaboration with an interdisciplinary team and access to advanced computational resources.

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Responsibilities

Developing the core components of this agentic system
Designing agentic workflow for specific experiment tasks
Implementing the infrastructure that handles message exchange and tool calls
Devising tools that control beamline instruments and launch simulations/analyses
Help integrate the AI system with beamline control systems (e.g., EPICS)
Publishing results in high-impact journals
Presenting at international conferences
Collaborating with a software engineering team to translate research into production-ready tools

Qualification

Deep learningX-ray physicsAgentic AI toolsPython programmingScientific instrument controlLarge scale MD packagesVersion controlInterpersonal skillsOral communicationWritten communicationTeamwork

Required

PhD completed in the past 5 years or soon to be completed in a relevant field of study
Knowledge of x-ray/optical/electron physics, including diffraction, optics, detectors, scattering etc
Experience with deep learning (DL) libraries such as Tensorflow, PyTorch, JAX etc
Experience with modern AI concepts such as large language models (LLMs), vision-language models (VLMs), model context protocol (MCPs), and the development of agentic AI tools
Skill in programming languages such as Python, Go etc
Ability to model Argonne's core values of impact, safety, respect, integrity, and teamwork
Interpersonal skills, oral and written communication skills, and ability to interact with people at all levels both within and outside the laboratory

Preferred

Experience with scientific instrument control systems (e.g., EPICS)
Experience with developing LLM-based applications using Python APIs
Experience with large scale molecular dynamics (MD) packages e.g. lammps
Experience with version control (e.g., Git) and collaborative software development practices
Excellent written and oral communication skills
Ability to work effectively as a member of a large, interdisciplinary team

Benefits

Comprehensive benefits are part of the total rewards package

Company

Argonne National Laboratory

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Argonne National Laboratory conducts researches in basic science, energy resources, and environmental management.

Funding

Current Stage
Late Stage
Total Funding
$41.4M
Key Investors
Advanced Research Projects Agency for HealthUS Department of EnergyU.S. Department of Homeland Security
2024-11-14Grant· $21.7M
2023-09-27Grant
2023-01-17Grant

Leadership Team

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Raeanna Sharp- Geiger
COO
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Paul Kearns
Laboratory Director
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Recent News

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