Research Scientist I/II, In Silico Materials Discovery
Lila Sciences is seeking a Research Scientist I/II to join its Physical Sciences division in Cambridge, MA. This role focuses on developing advanced in silico materials discovery methods, integrating autonomous workflows and data-driven pipelines to bridge simulation and artificial intelligence. The successful candidate will collaborate with experts in simulation, AI agents, and experimental automation to push the boundaries of digital discovery.
Key responsibilities include developing methods and workflows that connect physics-based simulations with generative models and agentic AI systems. The scientist will build intelligent pipelines enabling AI agents to autonomously design, launch, interpret, and refine simulations. Additionally, the role involves designing frameworks for effective utilization of simulation data in prediction, inference, and discovery, as well as creating scalable workflows that integrate various simulation scales with AI-driven reasoning.
Candidates must possess a PhD or equivalent experience in Computer Science, Materials Science, Chemistry, Physics, Applied Mathematics, or related disciplines. A strong foundation in in silico materials discovery, computational materials modeling, and simulation workflow design is essential. Proficiency in Python and scientific computing frameworks, along with familiarity with atomistic simulation software such as VASP, LAMMPS, ASE, or Pymatgen, is required. Experience with large language models and their application in scientific domains is also necessary.
The position offers a competitive base salary ranging from $176,000 to $234,000 USD, along with bonus potential and generous early equity. The final offer will reflect the candidate's unique background, expertise, and impact.
Lila Sciences is pioneering scientific superintelligence to address humanity's greatest challenges. By integrating AI into every aspect of the scientific method, the company aims to accelerate discoveries in human health, climate, and sustainability at an unprecedented pace and scale. Joining Lila Sciences offers the opportunity to work in a dynamic environment dedicated to groundbreaking advancements in science and technology.