# Co-Op, Agentic Simulations for Materials Science at Lila Sciences

- Company: Lila Sciences
- Status: Open
- Workplace: On-site
- Location: Cambridge, MA USA; San Francisco, CA USA
- Level: Junior
- Discipline: AI & ML
- Employment: Internship
- Posted: 2026-10-26
- Skills: ML, agent-driven infrastructure, physics simulations
- Apply: https://job-boards.greenhouse.io/lilasciences/jobs/4465059009

## Description

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 discovery pipelines into Lila's broader scientific superintelligence ecosystem.
 What You'll Need to Succeed 
• Currently enrolled in an MS or PhD program in CS, Materials Science, Chemistry, Chemical Engineering, Physics, or a related field (exceptional BS candidates with research experience considered)
• Proficiency in Python, deep learning frameworks and end-to-end workf

More Lila Sciences roles: https://deviantjobs.com/companies/lila-sciences