Achira · 2 months ago
Generative AI Researcher - Atomistic Foundation Models
San Francisco Office
Full-time
Onsite
Senior Level
$165K/yr - $259K/yrAchira is a company focused on advancing atomistic simulation through large-scale foundation models. The Generative AI Researcher will design and train deep generative models for molecules and materials, collaborate with physicists and chemists, and contribute to publications and internal research projects.
Artificial Intelligence (AI)BiotechnologyMedical
Responsibilities
Design and train frontier deep generative models — diffusion, autoregressive, flow-based, and latent-variable architectures — for molecules, materials, and atomic systems
Develop expressive representations of molecular and atomistic structure and dynamics, including equivariant graph neural networks, geometric transformers, and latent encoders that capture physical symmetries and constraints
Invent advanced sampling and simulation methods that integrate probabilistic inference, deep learning, and reinforcement learning — enabling efficient exploration and simulation of learned energy landscapes
Build models that understand, generate, and simulate the physical world — unifying reasoning, simulation, and prediction
Collaborate with physicists and chemists to ground models in ab initio, molecular dynamics, and experimental data
Prototype, benchmark, and iterate rapidly — transforming research ideas into reusable, scalable model components across Achira’s foundation model stack
Contribute to publications, open-source tools, and internal research projects that advance the field
Qualification
Required
PhD or equivalent research experience in machine learning, physics, chemistry, computer science, or a related field
Proven expertise in deep generative modeling (e.g., diffusion, VAEs, flows, autoregressive transformers)
Experience in representation learning for structured data, especially graph or 3D geometric models (GNNs, SE(3)/E(3)-equivariant networks, geometric transformers)
Proficiency in Python and modern ML frameworks (PyTorch, JAX, TensorFlow) plus scientific libraries (NumPy, SciPy, ASE, MDAnalysis)
Solid grounding in probability, optimization, and deep learning fundamentals
Demonstrated research impact through publications, open-source contributions, or released models
Preferred
Experience with atomistic simulations, molecular dynamics, or electronic-structure data
Familiarity with probabilistic inference, MCMC, variational methods, or reinforcement learning for sampling and control
Experience integrating physics-informed priors or energy-based models into deep architectures
Knowledge of atomistic molecular datasets and benchmarks such as QM9, MD17, OC20/22, and SPICE
Experience scaling models on HPC or distributed GPU infrastructure
Strong technical communication across interdisciplinary teams
Company
Achira
Achira is a startup company that combines AI and physics-based methods for drug discovery.
Founded in 2024
11-50 employees
Funding
Current Stage
Early StageTotal Funding
$33M2025-02-24Seed· $33M
Leadership Team
John Chodera
Co-Founder, CEO, and President
Theofanis Karaletsos
Co-Founder, Boardmember, Advisor
Recent News
2025-10-16
Company data provided by crunchbase