Senior Software Engineer – Accelerated Quantum Chemistry and cuEST

Description

The company is building a math library, launched in March 2026, that speeds up quantum chemistry calculations on GPUs. It offers accelerated routines for core electronic structure computations and starts with Gaussian-basis methods.

The team keeps improving the library's features, speed and software stack, and is hiring people to shape its next generation.

The work pushes electronic structure theory forward, with uses from drug discovery to semiconductor process development.

Day to day, you will work with a high-performance math libraries team to build and ship the library, and you will also develop new algorithms that make practical quantum chemistry more flexible.

Responsibilities

• You own engineering work on the library from the first idea through to a shipped CUDA math library.
• You will architect, implement, optimize, productize and deploy production GPU code for quantum chemistry primitives, leading specific modules and contributing to team projects.
• You will work with engineering, product and program groups to bring finished products to market, with a focus on partner and customer engagement.
• You will engage with the quantum chemistry community, help grow adoption of GPU-accelerated methods, and bring new field developments back to the team.

Requirements

• 10+ years of experience developing high-performance numerical methods for scientific computing.
• 5+ years of experience building production-grade quantum chemistry packages.
• PhD or equivalent experience in computational physics, computational chemistry, computer science or a related technical field.
• Expert knowledge of GPU software development and performance optimization.
• Proficiency in C++, CUDA and common quantum chemistry tools.
• Comfortable with lean, team-based software engineering, including using agentic AI to speed up and improve the software you deliver.
• Ways to stand out: deep knowledge of high-performance Gaussian quantum chemistry primitives in extended settings, such as periodic boundary conditions, response properties, larger molecular systems or Gaussian integral technology.
• Ways to stand out: experience designing high-performance accelerator algorithms, using tensor cores, floating point emulation and mixed precision to get the most from each accelerator.

Conditions

Base salary depends on location, experience and other objective job-related factors. Expected base salary is 184,000 USD to 287,500 USD for Level 4, and 224,000 USD to 356,500 USD for Level 5.

This is an existing vacancy. Applications will be accepted at least until November 3, 2026.

The company uses AI tools in its recruiting processes.

The company is an equal opportunity employer and does not discriminate in hiring or promotion on any legally protected basis.