Math Libraries Intern, cuEST - Summer 2027

Details

NVIDIA is looking for software engineering interns to join the math libraries team building cuEST, a CUDA-X math library that accelerates quantum chemistry on NVIDIA GPUs. Launched in March 2026, cuEST provides accelerated APIs for essential functions in electronic structure computations, starting with Gaussian-basis quantum chemistry. These capabilities power applications ranging from drug discovery to semiconductor process development.

The team is working to improve the feature set, performance, and technology stack of cuEST. Interns will help build GPU-accelerated software used by quantum chemists around the world.

Responsibilities

• Prototype and develop GPU-accelerated algorithms for Gaussian-basis quantum chemistry primitives in cuEST.
• Analyze the performance of CUDA implementations, identify opportunities for improvement, and implement them.
• Contribute across the engineering lifecycle, from design and testing to code that ships in the library.
• Collaborate with team members and other stakeholders to understand how quantum chemistry applications use cuEST and what they need from it.
• Work with senior engineers who will provide mentorship and guidance in developing highly optimized algorithms and numerical methods for quantum chemistry.
• Implement new quantum chemistry primitives, define APIs, analyze and improve GPU performance, address difficult numerical corner cases, and contribute to other software engineering work involved in shipping a production CUDA-X library.

Requirements

• Pursuing a BS, MS, or PhD degree in Computational Chemistry, Computational Physics, Computer Science, Applied Math, or an equivalent program area.
• Excellent C/C++ or Python programming, debugging, performance analysis, and test design skills.
• Strong algorithms and numerical methods fundamentals.
• Ability to work independently and lead your own development effort.
• Good teamwork, communication, and documentation habits.

Preferred Qualifications

• GPU programming experience with CUDA or OpenCL.
• Coursework or research experience in quantum chemistry or electronic structure theory.
• Knowledge of floating-point arithmetic and numerical error analysis.
• Knowledge of CPU or GPU hardware architecture.
• Experience using agentic AI tools to improve the speed and quality of software development.

Benefits

Interns are eligible for NVIDIA intern benefits.

The expected hourly rate for this position is USD 20–94. The hourly rate is based on the position, location, year in school, degree, and experience.

Applications will be accepted at least until November 6, 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.