AI Research Scientist — Agentic AI for Materials Discovery

AI Research Scientist position in Meta's Reality Labs Research, Material and Systems Innovation team, responsible for designing and building LLM-orchestrated multi-agent systems for materials discovery pipelines.

Requirements

• 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 (NeurIPS, ICML, ICLR, or domain journals)

Benefits

• Generous Paid Time Off
• 401k Matching
• Retirement Plan
• Bonus & Equity