Generative AI Researcher - Atomistic Simulation Models
AchiraSan Francisco, California, United States ⢠New York, New York, United States
Posted October 24, 2025
Full Time
About the Company
Achira develops atomistic simulation models that serve as foundational tools for drug discovery. The company focuses on highâfidelity molecular dynamics, quantum mechanics, and AIâdriven predictive modeling to accelerate target validation and lead optimization. By integrating cuttingâedge computational physics with scalable cloud infrastructure, Achira enables pharmaceutical teams to reduce experimental cycles and lower R&D costs. Its unique blend of physicsâbased accuracy and dataâdriven insights positions Achira as a leader in computational drug design.
Job Description
Join a world-class team of researchers, scientists, and engineers unifying probabilistic AI/ML and molecular simulation to reimagine small molecule drug discovery. Design probabilistic generative models that exploit Achira's next-generation biomolecular simulation potentials.
Requirements
- PhD (or equivalent research experience) in computer science, statistics, applied math, computational chemistry/biology, or related field
- Demonstrated track record in probabilistic ML and generative modeling (publications, impactful open-source, or deployed systems)
- Hands-on experience with diffusion/flows/flow matching on structured or geometric data
- Practical experience with sequential Monte Carlo/AIS/tempering and/or advanced MCMC
- Proficiency in Python with PyTorch and/or JAX; strong software engineering hygiene
- Familiarity with biomolecular structure and data representations (graphs/3D/SMILES)
