Graduate Intern: Agentic AI for Fe-N-C Fuel Cell Catalysts

NLR; Golden (CO); Hybrid; USD 45,000 - 71,000; Full time

Benefits offered by this job

Medical insurance

Dental insurance

Vision insurance

403(b) match

Job summary

NLR invites a Graduate Intern to advance agentic AI for computational synthesis of Fe‑N‑C fuel cell catalysts at the golden Colorado site. This fixed-term intern role merges AI automation, MLIPs training, and materials science under mentorship from a multidisciplinary team.

The ideal candidate is pursuing a bachelor’s or master’s degree and demonstrates strong communication skills, Python workflow experience, and interest in AI-driven chemical discovery. Hybrid work arrangements apply.

Qualifications

• Excellent written and verbal communication skills.
• Excellent knowledge of AI automation, including LangChain and deterministic frameworks.
• Experience with chemistry and materials science, especially incorporating ML/AI into workflows.

Responsibilities

• Develop agentic AI framework to automate training of MLIPs and explore reaction spaces for Fe‑N‑C catalyst synthesis.
• Collaborate with researchers to study graphitization and Fe incorporation into N‑C matrices.
• Prepare technical papers, reports and conference materials on AI-automated MLIP studies.

Skills

AI automation

LangChain

Communication

Python workflows

Education

Bachelor's/Master's degree in relevant field

Tools

LangChain

JDFTx

VASP

MLIP workflows

Python environments

Job description

NLR invites a Graduate Intern to advance agentic AI for computational synthesis of Fe‑N‑C fuel cell catalysts at the golden Colorado site. This fixed-term intern role merges AI automation, MLIPs training, and materials science under mentorship from a multidisciplinary team.

The ideal candidate is pursuing a bachelor’s or master’s degree and demonstrates strong communication skills, Python workflow experience, and interest in AI-driven chemical discovery. Hybrid work arrangements apply.