Researcher (Generative Models & Simulation)

3 weeks ago


Reston, Virginia, United States Orbital Materials Full time

The Role

We are seeking a highly skilled researcher to join our team at Orbital Materials, where you will work on cutting-edge generative AI problems to accelerate scientific discovery and solve climate change. This is a hybrid role with 2 to 3 days in the lab in Princeton, NJ.

You will be the first AI researcher at our synthesis and testing facility in Princeton, NJ, working closely with the London, UK computational group to develop new AI-powered tools to accelerate experimental progress in material discovery and technology development.

This role will develop LLM-based scientists to engineer materials at the atomic scale. You will develop LLM agents to connect and leverage diverse knowledge sources and computational capabilities - from our proprietary generative foundation model LINUS, high throughput DFT and molecular simulations, to human chemical intuition and experimental data, testing the boundaries of chemical reasoning in LLMs.

Responsibilities:

  • Design and implement frontier research methods using LLMs for chemistry, from literature understanding and data extraction, to agentic systems and natural language interfaces.
  • Develop and design tools which maximise the value of our AI and computational chemistry research for our experimental chemistry team.
  • Aid in the translation of chemistry challenges into concrete computational modelling solutions, and computational results into concrete scientific hypotheses.

Skills & Experience:

  • Research experience in the application of LLMs to scientific problems, in particular chemistry and material science. Publicly available projects and demonstrations will be considered alongside publication history.
  • Experience evaluating LLMs and other machine learning models
  • Strong software development skills (python)
  • Familiarity with computational chemistry methods such as DFT, Monte-Carlo / Molecular Dynamics simulations

Salary & Benefits

  • Competitive base salary with AI sector
  • Generous equity package
  • Healthcare coverage (including medical, dental, and vision)
  • 401K retirement benefits
  • Flexible and generous paid time off
  • Regular team offsites

Equal Opportunity Employer



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