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Senior Software Engineer – Accelerated Quantum Chemistry and cuEST

NVIDIA· Engineer, Sys SW
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Hybrid (US, CA, Remote)$184k - $356.5kfull-timePosted 4mo ago

About the role

Senior software engineer to build and ship cuEST, a CUDA-X math library accelerating quantum chemistry on NVIDIA GPUs, starting with Gaussian-basis quantum chemistry. Owns end-to-end engineering from idea to production, with opportunities to innovate algorithms and engage with customers and the quantum chemistry community.

Responsibilities

  • Own every part of the engineering mission of cuEST - from idea to shipped CUDA-X library.
  • Architect, implement, optimize, productize, and deploy production-grade GPU solutions for quantum chemistry library primitives.
  • Provide technical leadership of specific code modules and contribute to broader engineering projects as part of a team.
  • Collaborate across engineering, product, and program organizations to bring developed products to market with partner and customer engagement.
  • Engage with the broader quantum chemistry community, contributing knowledge to drive adoption of GPU-accelerated quantum chemistry and relay new developments back to the team.

Qualifications

  • 10+ years of experience in developing high performance numerical methods for scientific computing
  • 5+ years of experience in developing production-grade quantum chemistry packages
  • PhD or equivalent experience in computational physics, computational chemistry, computer science, or related technical fields
  • Expert knowledge of GPU software development and performance optimization
  • Proficiency in C++, CUDA, and common quantum chemistry tools
  • Adept with lean team-based software engineering, including familiarity with the use of agentic AI to boost the speed and quality of delivered software products

Skills

Required:High-performance numerical methodsQuantum chemistry software developmentGPU programmingC++CUDALean team-based software engineering
Nice to have:Agentic AI utilization

Benefits

  • equity
  • benefits (see NVIDIA benefits)
Last updated Jul 3, 2026. Interested? Apply on the company site.

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