ChemGraph is an agentic framework developed at ALCF for orchestrating chemistry and materials science workflows. ChemGraph has been tested using open-weight models deployed on ALCF inference endpoints, Argo, as well as proprietary models. Beyond its research application, ChemGraph will also be deployed as an educational tool in a graduate-level chemistry course CHEM 543 (Molecular Spectroscopy) at the University of Illinois Chicago (UIC) this semester. Despite this progress, a key limitation of ChemGraph and most existing agentic systems, is the lack of rigorous, large-scale evaluation. In this project, the student will develop a comprehensive evaluation suite to assess agentic workflows at scale. The suite will measure agent performance across large batches of tasks, with metrics including task success rate, resource utilization, scalability, error recovery, and reproducibility. By running controlled experiments over hundreds to thousands of automated workflows, this project will systematically characterize agentic AI behavior under increasing task complexity, long workflow horizons, and heavy computational load. Education and Experience Requirements The entirety of the appointment must be conducted within the United States. Applicants must be: Currently enrolled in undergraduate or graduate studies at an accredited institution. o Graduated from an accredited institution within the past 3 months; or o Actively enrolled in a graduate program at an accredited institution. Must be 18 years or older at the time the appointment begins. Must possess a cumulative GPA of 3.0 on a 4.0 scale. Must be a U.S. citizen or Legal Permanent Resident at the time of application. If accepting an offer, candidates may be required to complete pre-employment drug testing based on appointment length. All students remain subject to applicable drug testing policies
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Job Type
Full-time
Career Level
Intern
Education Level
No Education Listed
Number of Employees
1,001-5,000 employees