Senior Software Engineer – Accelerated Quantum Chemistry and cuEST

at Nvidia

📍 United States

USD 184,000-356,500 per year

SENIOR

✅ Remote

Tech Stack
Tag name is followed by "@" symbol and proficiency level value. About proficiency levels:

1-2 — basic awareness. Minimal hands-on experience, and a rudimentary understanding of the technology's purpose;

3-6 — daily use. Comfortable and regular usage, capable of handling common tasks and challenges related to the technology;

7-9 — you are an expert, you can teach others, you know all the pitfalls and tricks;

10 — exceptional knowledge, comprehensive understanding, and adeptness in all aspects of the technology, including advanced problem-solving. Think twice before claiming or demanding such level.

AI @ 3 API Agentic AI @ 3 Algorithms @ 4 CUDA @ 6 GPU @ 4 Performance Optimization @ 4 Software Development @ 4 Technical Leadership

Details

NVIDIA is seeking a senior software engineer to help accelerate quantum chemistry on NVIDIA GPUs through cuEST, a CUDA-X math library launched in March 2026. cuEST provides accelerated APIs for essential electronic structure computations, initially focused on Gaussian-basis quantum chemistry. The team works to expand the library's feature set, performance, and technology stack while developing new algorithms for practical quantum chemistry applications in areas such as drug discovery and semiconductor process development.

Responsibilities

Own the full engineering lifecycle of cuEST, from initial ideas through shipping the CUDA-X library.
Architect, implement, optimize, productize, and deploy production-grade GPU solutions for quantum chemistry library primitives.
Provide technical leadership for specific code modules and contribute to collaborative engineering projects.
Collaborate with engineering, product, and program organizations to take developed products to market, with a focus on partner and customer engagement.
Engage with the quantum chemistry community, promote adoption of GPU-accelerated quantum chemistry, and bring new developments back to the team.
Develop and optimize high-performance numerical methods and algorithms for scientific computing.

Requirements

10+ years of experience developing high-performance numerical methods for scientific computing.
5+ years of experience developing 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.
Experience with lean, team-based software engineering.
Familiarity with using agentic AI to improve the speed and quality of software products.

Preferred Qualifications

Outstanding knowledge of high-performance Gaussian quantum chemistry primitives in extended simulation conditions, including periodic boundary conditions, response properties, larger molecular systems, or Gaussian integral technology.
Experience with high-performance accelerator algorithm design, including tensor cores, floating-point emulation, and mixed-precision algorithms.

Compensation and Benefits

The base salary range is USD 184,000–287,500 for Level 4 and USD 224,000–356,500 for Level 5. Compensation is determined based on location, experience, and the pay of employees in similar positions. The role is also eligible for equity and benefits.

Applications will be accepted at least until June 16, 2026. NVIDIA uses AI tools in its recruiting processes and is an equal opportunity employer.