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AI Scientist - Generative Modeling for Materials Science

Lila Sciences is building a scientific superintelligence platform and autonomous lab to accelerate discovery across life, chemistry, and materials science. The AI Scientist for Generative Modeling will develop state-of-the-art generative models and physics-informed representations to drive real-world materials design, working closely with engineers, product managers, and experimental scientists at Lila's Cambridge facilities.

Skills

  • Proficiency in Python and machine learning engineering workflows
  • Experience with deep learning frameworks (PyTorch, TensorFlow)
  • Strong understanding of modern generative modeling: diffusion, flow, flow-matching
  • Familiarity with geometric deep learning and graph neural networks
  • Basic materials science, physics, and chemistry knowledge to inform model design
  • Experience with model validation and deployment in research or production settings
  • Ability to collaborate with experimental scientists and interpret lab results
  • Strong written and verbal communication and presentation skills

Responsibilities

  • Design and implement generative models (diffusion, flow-based, flow-matching) for materials design problems
  • Develop physics-informed data representations and inductive biases tailored to materials and chemistry
  • Create datasets, evaluation frameworks, and validate models against experimentally realized materials
  • Collaborate with software engineers to productionize models and integrate into internal pipelines
  • Partner with R&D leadership, product managers, and automation teams to translate scientific needs into modeling strategies
  • Communicate results via technical reports, presentations, and publications; mentor junior researchers

Education

  • PhD in Materials Science, Computer Science, Physics, Chemistry, or related field preferred
  • MS in a relevant quantitative discipline or equivalent industry experience considered
  • Strong track record of research or applied work in machine learning or scientific domains

Benefits

  • Equity / stock options
  • Comprehensive health, dental, and vision insurance
  • Paid time off and flexible leave policies
  • 401(k) retirement plan or equivalent
  • Access to on-site autonomous lab and experimental resources
  • Professional development and conference support
  • Relocation assistance when applicable
To read the complete job description, please click on the ‘Apply’ button

Average salary estimate

$185000 / YEARLY (est.)
min
max
$150000K
$220000K

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SENIORITY LEVEL REQUIREMENT
TEAM SIZE
SALARY RANGE
$150,000/yr - $220,000/yr
EMPLOYMENT TYPE
Full-time, onsite
DATE POSTED
August 16, 2025
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