Co-Op, Agentic Simulations for Materials Science

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Lila Sciences

Building Scientific Superintelligence

201-500 employeesFounded 2023Cambridge, MATechnology, Information and Internet
Actively hiringPaidTechnology, Information and Internet
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Best applied by Nov 25

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About the role#

Join our physical sciences team to build ML and agent-driven infrastructure. You will work on projects that enable our systems to autonomously construct, execute, and interpret complex physics simulations for materials science and chemistry. You will contribute to areas such as AI agents for simulation orchestration, ML models for atomistic simulations, and in silico materials discovery.

What you'll do#

  • Develop methods and workflows for in silico materials discovery that connect physics-based simulations, generative models, and agentic AI systems.
  • Build intelligent pipelines where AI agents can design, launch, interpret, and refine simulations autonomously.
  • Design new methods to accelerate simulations with ML-based surrogate models.
  • Collaborate with computational scientists, machine learning experts, and platform engineers to integrate discovery pipelines into our broader scientific ecosystem.

What you'll need#

  • Current enrollment in an MS or PhD program in CS, Materials Science, Chemistry, Chemical Engineering, Physics, or a related field. Exceptional BS candidates with research experience will be considered.
  • Proficiency in Python, deep learning frameworks, and end-to-end workflow deployment.
  • Evidence of applied ML research in the physical sciences, including model training, evaluation, and sound code practices.
  • Strong communication skills to explain technical information clearly.
  • Experience working in technical, team-based settings.

Location & details#

  • This is a full-time, paid co-op position.
  • The role is on-site in either Cambridge, Massachusetts, or San Francisco, California.
  • Hiring is on a rolling basis.

About Lila Sciences

Lila Sciences operates as a scientific superintelligence platform and autonomous lab. The company focuses on life, chemistry, and materials science. It applies artificial intelligence to the scientific method to assist with research in human health and sustainability. Founded in 2023, the organization maintains its headquarters in Cambridge, Massachusetts. It currently employs 474 people.

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