ML Research Scientist (MLRS) - Generative AI

The role

You will invent advanced sampling and simulation methods and design frontier generative models. You will work at the intersection of machine learning, statistical mechanics, and approximate bayesian inference to build world models for the physical microcosm.

What you will do

• Invent advanced sampling and simulation methods integrating probabilistic inference, deep learning, and reinforcement learning
• Design and train frontier generative models including diffusion, autoregressive, flow-based, and latent-variable architectures
• Build models that map between data distributions to bridge the gap between simulation and reality
• Prototype, benchmark, and iterate research ideas into reusable and scalable components
• Collaborate with physicists and chemists to ensure models are grounded in real physics
• Work with research engineers and the infrastructure team to identify research support needs

Required qualifications

• Demonstrated research impact through conference talks, publications, open-source contributions, or released models
• Strong interdisciplinary communication and presentation skills
• Ability to translate ideas and concepts to colleagues from non-ML backgrounds
• Proficiency in Python and modern ML frameworks (PyTorch, JAX)
• Experience collaborating on research projects across multi-person teams

Nice to have

• Professional experience (post-degree) in an industry setting
• Experience working with models that operate on 3-D point clouds and dynamic data
• Experience in sequential monte carlo methods
• Experience with probabilistic programming
• Experience with pre-training, mid-training, and post-training (especially reinforcement learning)
• Familiarity with statistical mechanics: working knowledge of sampling, estimators, and the Crooks/Jarzynski perspective of nonequilibrium statistical mechanics
• Prior experience working in or with researchers in the domains of computational chemistry, biology, or materials science
• Experience working with multi-cloud distributed compute systems
• Experience working with multi-site distributed company team

About the company

Achira is building a frontier lab for Physical AI for molecules. The organization values rigor, speed, execution, and an ownership mindset.