Co-Op, Agentic Simulations for Materials Science

Your Impact at LILA

Join our physical sciences team to contribute to developing ML- and agent-driven infrastructure that enables Lila's scientific superintelligence to autonomously construct, execute, and interpret complex physics simulations and apply these to real-world scientific problems in materials science and chemistry. You will work on projects involving one of these areas: enabling AI agents to reason over and orchestrate simulations, developing ML methods to accelerate atomistic simulations, and leveraging agentic simulations for applications in materials discovery.

What You'll Be Building

• Contribute to projects involving one of these areas: AI agents for simulations, ML models for atomistic simulations, and in silico materials discovery.
• 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 in silico