Senior Software Engineer – Accelerated Quantum Chemistry and cuEST
Used Tools & Technologies
Not specified
Required Skills & Competences
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.
Software Development @ 4
Algorithms @ 4
Leadership @ 4
Performance Optimization @ 4
API @ 4
Technical Leadership @ 4
CUDA @ 4
GPU @ 4
AI @ 3
Agentic AI @ 3
- 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.
Details
NVIDIA is looking for an outstanding senior software engineer to join our endeavor to accelerate quantum chemistry on NVIDIA GPUs: cuEST. Launched in March 2026, cuEST is a CUDA-X math library that provides accelerated APIs for essential functions related to electronic structure computations. The library starts with Gaussian-basis quantum chemistry. The team continually improves the feature set, performance, and technology stack of cuEST and is looking for new teammates to help drive the next generation of cuEST development.
This role will enable you and your colleagues to expand the frontiers of electronic structure theory and deliver high performance for applications ranging from drug discovery to semiconductor process development. You will be engaged in day-to-day engineering activities of a high-performance math libraries engineering team building and shipping cuEST while also innovating and developing new algorithms that improve the flexibility of practical quantum chemistry.
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 in a collaborative environment.
- Provide technical leadership of specific code modules and contribute to team engineering projects.
- Collaborate across broader engineering, product, and program organizations to take developed products to market with a focus on partner and customer engagement.
- Engage with the broader quantum chemistry community, contribute knowledge that helps drive adoption of GPU-accelerated quantum chemistry, and carry new developments from the field back to the team.
Requirements
- 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.
Ways to stand out from the crowd
- Outstanding knowledge of high-performance Gaussian quantum chemistry primitives in extended simulation conditions, such as periodic boundary conditions, response properties, larger molecular systems, or Gaussian integral technology.
- Experience with high-performance accelerator algorithm design, including use of tensor cores, floating point emulation, and mixed precision algorithms to unlock the potential of each accelerator.
Compensation & Benefits
The base salary range is 184,000 USD - 287,500 USD for Level 4, and 224,000 USD - 356,500 USD for Level 5. You will also be eligible for equity and benefits (see NVIDIA benefits).
Other information
- Applications for this job will be accepted at least until June 16, 2026.
- This posting is for an existing vacancy.
- NVIDIA uses AI tools in its recruiting processes.
- NVIDIA is committed to fostering an inclusive work environment and is an equal opportunity employer.