Computational Chemical Physicist

Today, developing a single new drug or industrial molecule costs $5+ billion and takes over a decade. Azulene Labs is transforming molecular discovery with radically more accurate simulations—cutting the time and cost to develop new drugs, battery materials, enzymatic catalysts, and recyclable materials. We are seeking a computational chemical physicist with deep experience in molecular simulation, force field development, and machine learning for molecules and materials.

We’re looking for a PhD scientist with strong expertise in molecular dynamics,
enhanced sampling methods (e.g., meta dynamics, umbrella sampling, replica exchange), free energy calculations, computational thermodynamics, deep learning, and force-field / neural network potential development. Experience with electronic structure methods (e.g. DFT) and statistical mechanics is a major plus.

• Lead or contribute to MD, enhanced sampling, and free energy projects
• Develop and deploy high-accuracy force fields and neural network potentials
• Build deep learning models for molecular and materials prediction (PyTorch or similar)
• Write efficient scientific software in Python and/or C++
• Take ideas from theory to scalable implementation

• PhD in chemical physics, chemistry, physics, materials science, or related field
• Strong background in MD, enhanced sampling, free energy methods, force‑field/NN‑potential development, and deep learning for molecular systems
• Experience with electronic structure (DFT), statistical mechanics, or rare‑event methods
• Proficient in scientific programming; parallel tools a plus
• Preferred: OpenMM, OpenFE, and training MLIPs (e.g., MACE, etc.)

• High‑impact science with real‑world consequences
• Significant equity as an early technical leader

Bay Area strongly preferred; exceptional remote candidates considered.

Startup salary + substantial equity.

Send your CV and a short description of your most original analytical or computational contributions.

Entry level

Full-time

Research, Analyst, and Information Technology

Software Development

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