Lila Sciences · 16 hours ago
Research Scientist I/II, Statistical Mechanics and Dynamics
Cambridge, MA
Full-time
Onsite
Entry, Mid Level
$176K/yr - $234K/yrLila Sciences is the world’s first scientific superintelligence platform and autonomous lab for life, chemistry, and materials science. The role focuses on designing and implementing simulation approaches for modeling transport and kinetics, integrating them with AI-driven platforms for materials discovery.
Artificial Intelligence (AI)Life ScienceSoftware
Responsibilities
Develop and extend molecular dynamics and Monte Carlo algorithms to capture rare events, non-equilibrium processes, transport phenomena, and mapping complex reaction networks
Build scalable simulation workflows that integrate statistical mechanics methods with machine learned interatomic potentials and agentic AI frameworks
Design methods for coupling dynamics simulations with experimental observables to enable closed-loop verification and discovery with automated labs
Collaborate with computational scientists, machine learning experts, and platform engineers to advance the fidelity and scalability of simulation-driven materials discovery
Establish reproducible, modular software pipelines for statistical mechanics and dynamics simulations that can be deployed on HPC and cloud-based infrastructure
Qualification
Required
PhD or equivalent research/industry experience in Physics, Chemistry, Chemical Engineering, Mechanical Engineering, Applied Mathematics, or related fields
Strong background in statistical mechanics, free energy calculations, reaction mapping, non-equilibrium dynamics, and rare-event sampling
Demonstrated expertise with molecular dynamics, Monte Carlo, and/or kinetic simulation software and frameworks (LAMMPS, GROMACS, OpenMM, HOOMD, etc.)
Solid programming skills and experience with scientific computing (Python, C/C++, MPI, CUDA, etc.)
Experience running and automating simulations on HPC and/or cloud environments at scale
Preferred
Strong publication record applying advanced statistical mechanics or dynamics simulations to molecular and materials systems, including but not limited to molecular/biomolecular systems and solid-state materials and interfaces
Prior work in coupling dynamics simulations with data-driven, AI-based, and/or agentic frameworks
Good familiarity with machine learning frameworks (PyTorch, JAX, TensorFlow, etc.)
Prior experience working with machine learned interatomic potentials, including model training, fine-tuning, and data generation
Worked closely with experimental teams to extract and corroborate experimental observables from dynamics simulations
Benefits
Bonus potential
Generous early equity
Company
Lila Sciences
Lila Sciences creates a scientific superintelligence platform and autonomous labs for life sciences, chemistry, and materials science. It is a sub-organization of Flagship Pioneering.
Founded in 2023
201-500 employees
H1B Sponsorship
Lila Sciences has a track record of offering H1B sponsorships. Please note that this does not
guarantee sponsorship for this specific role. Below presents additional info for your
reference. (Data Powered by US Department of Labor)
Distribution of Different Job Fields Receiving Sponsorship
Represents job field similar to this job
Trends of Total Sponsorships
2025 (8)
Funding
Current Stage
Growth StageTotal Funding
$550MKey Investors
NVenturesFlagship Pioneering
2025-10-14Series A· $115M
2025-09-14Series A· $235M
2025-03-10Seed· $200M
Recent News
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MIT Technology Review
2025-12-15
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