# Scientist II/Senior Scientist, Computational Biophysics at Lila Sciences

- Company: Lila Sciences
- What the company does: LILA has created the world's first Operating System for Science powered by Scientific Superintelligence™. Backed by General Catalyst.
- Company website: https://www.lila.ai/
- Type: Startups (AI role)
- Level: Senior
- Location: Cambridge, MA USA; London, UK; San Francisco, CA USA
- Work setup: On-site
- Posted: 2026-08-03
- Apply by: 2026-10-08
- Apply: https://job-boards.greenhouse.io/lilasciences/jobs/4340155009
- Page: https://www.1752.vc/careers/jobs/lila-sciences-scientist-ii-senior-scientist-computational-biophysics/

## About the role

Lila Sciences is seeking a Computational Biophysics Scientist to help ensure that our AI agents can use biophysics tools in ways that are scientifically correct, reliable, and useful for drug discovery. This person will define how biophysics experiments should be set up, parameterized, validated, and exposed as tools for automated scientific workflows.

## What they're looking for

- PhD or equivalent experience in computational biophysics, computational chemistry, chemical physics, biophysics, physics, chemistry, or a related field
- Deep hands-on experience with molecular dynamics simulation, MM/GBSA, and free-energy perturbation methods for RBFE and ABFE
- Practical experience with open-source molecular simulation and free-energy packages, with strong preference for OpenMM and OpenFE
- Strong understanding of how to parameterize molecular systems and validate that simulation setups are scientifically sound
- Demonstrated history of modeling protein-ligand binding and interpreting results for scientific decision-making
- Ability to reason from biophysical first principles while also building practical workflows that other teams can use

Tags: Physical Sciences AI