AI Research Engineer

In this role you guide AI research for chemistry and materials science within QualityAI’s FAIR Chemistry initiative. You will collaborate with domain scientists, AI experts and engineers to push state-of-the-art methods, publish results, and deliver reproducible, open-source code. The position supports energy sustainability, drug discovery and new materials, offering impact from method development to real-world applications. A strong research track record and cross-disciplinary collaboration are essential.

• Provide technical leadership for AI for science directions
• Advance state-of-the-art AI methods for chemistry and materials science
• Collaborate with internal and external partners to realize impact
• Define milestones toward long-term goals
• Publish and contribute to research communities
• Open-source high-quality, reproducible research code

• Bachelor’s degree in computer science, computer engineering, or related field OR equivalent experience
• PhD in AI, computer science, data science, science/engineering, or related fields
• First-authored or last-authored publications in major conferences (ICML/NeurIPS/ICLR)
• 4+ years in industry, postdoc, academia, or government research roles
• Research background in machine learning, AI for science, or applied math
• Proficiency in Python or similar languages

• Collaborative teamwork
• Effective communication with cross-functional teams
• Ability to drive projects and milestones
• Machine learning and AI for science
• Molecular simulations, long-timescale dynamics, generative models
• Python programming