The AI Specialist role at Meta's Reality Labs Research focuses on designing and building LLM-orchestrated multi-agent systems for autonomous materials discovery in AR glasses and robotics. The position aims to accelerate materials discovery timelines using agentic AI, contributing to both production systems and published research.

• Bachelor's degree in Computer Science, Computer Engineering, relevant technical field, or equivalent practical experience
• PhD in AI, Computer Science, Computational Chemistry, Materials Science, or related field
• 2+ years of experience with large language models, prompt engineering, or agentic AI frameworks
• Demonstrated programming skills in Python and experience with ML frameworks (PyTorch, JAX, or similar)
• Demonstrated experience in building end-to-end AI systems that integrate external tools and APIs
• Familiarity with at least one domain: computational chemistry, molecular simulation, or materials informatics

• Design, implement, and optimize LLM-orchestrated multi-agent systems for autonomous materials discovery pipelines
• Build specialized AI sub-agents that operate within a closed-loop discovery framework
• Integrate agentic AI workflows with computational chemistry tools (DFT, MD, Monte Carlo) and HPC infrastructure
• Develop and fine-tune retrieval-augmented generation (RAG) systems over scientific literature corpora for real-time knowledge synthesis
• Collaborate with materials scientists, computational chemists, and ML researchers to translate domain workflows into autonomous agent architectures
• Evaluate and benchmark agent performance on materials discovery tasks — measuring accuracy, throughput, and synthetic viability of generated candidates
• Contribute to open-source tooling and publish research at top-tier venues

• Employees at Meta are often offered comprehensive benefits, including medical/dental/vision coverage, mental-health resources, family planning support (fertility, adoption, surrogacy), and caregiving programs. Financial benefits typically include a competitive retirement plan, equity awards, life insurance, and access to financial coaching and legal support. Time-off benefits commonly feature generous PTO and holidays, unlimited sick time, various paid leaves, flexible “Global Travel Days,” and a 30-day paid break every five years.