This project aims to adapt and enhance an existing agentic framework to facilitate the execution and supervision of first-principles calculations for both bulk and interface materials. The primary objective is to enable students to generate appropriate inputs and submission scripts for High Performance Computing (HPC) machines, monitor outputs, troubleshoot errors, and resubmit calculations when necessary. Future enhancements could incorporate preliminary data analysis.
By improving the existing agentic framework to conduct first-principles calculations for solid materials, students will gain valuable experience in utilizing HPC resources, troubleshooting computational issues, and interpreting results. This project not only contributes to the development of computational skills but also promotes an understanding of material science principles at the atomic level. Future enhancements, such as preliminary data analysis, will further enrich the framework's capabilities and broaden its applicability in various research domains.

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.

Graduated from an accredited institution within the past 3 months; or

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.

Job FamilyDOE Seasonal InternJob ProfileDOE - SULI (Science Undergraduate Laboratory Internship)Worker TypeContingent WorkerTime TypeFull timeScheduled Weekly Hours40EEO Information

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