AI Research Scientist/ Research Engineer: Materials Discovery
Logical Intelligence · Posted Nov 5, 2026
- San Francisco, California, United States
- Full-time
As a Research Scientist on our material discovery team, you will help turn ideas into new molecules by building AI systems that propose and evaluate candidates, working with partner labs.
Responsibilities
- Build and improve the AI systems behind our discovery loop, from candidate generation and screening to selecting which molecules to test next.
- Develop energy-based models that combine learned representations with physical and chemical knowledge to search chemical space more efficiently.
- Own model evaluation, including benchmarks on held-out chemical families, accuracy against both quantum-chemistry calculations and experiment, calibration of uncertainty estimates, prospective tests, and tracking across model versions.
- Compare AI predictions with measurements, investigate disagreements, and turn what you learn into concrete model changes.
- Design experiments with our partner labs so that each round of synthesis and testing is as informative as possible.
Requirements
- PhD in machine learning, computational chemistry, physics, or a related field
- Master’s plus relevant industry experience
- Nice to have: molecular ML
- Nice to have: property prediction
- Nice to have: generative molecular design