Senior Software Engineer – Accelerated Quantum Chemistry and cuEST

NVIDIA Gruppe; California (MO); On-site; USD 184,000 - 287,500; Full time

Benefits offered by this job

Equity

Comprehensive benefits

Job summary

NVIDIA Gruppe is seeking a Senior Software Engineer to accelerate quantum chemistry on NVIDIA GPUs. You will lead the engineering mission of cuEST, architecting and optimizing GPU solutions for quantum chemistry.

We require 10+ years of experience in numerical methods and a PhD in a related field. The role offers significant responsibilities in product development and collaboration with broad engineering teams, alongside a competitive salary and benefits based on experience.

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.
• Expert knowledge of GPU software development and performance optimization.

Responsibilities

• Own every part of the engineering mission of cuEST from idea to shipped library.
• Architect, implement, optimize, and deploy production-grade GPU solutions.
• Collaborate across engineering, product, and program organizations.

Skills

High performance numerical methods development

GPU software development

C++ proficiency

CUDA proficiency

Familiarity with quantum chemistry tools

Education

PhD or equivalent in computational physics, chemistry, or computer science

Job description

Overview

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. It provides accelerated APIs for essential functions related to electronic structure computations. The library starts with Gaussian-basis quantum chemistry. We are constantly working to improve the feature set, performance, and technology stack of cuEST, and are looking for new teammates to help drive the next generation of cuEST development.

What you will be doing

• You and your teammates will own every part of the engineering mission of cuEST - from idea to shipped CUDA-X library.
• You will architect, implement, optimize, productize, and deploy production-grade GPU solutions for quantum chemistry library primitives in a collaborative environment. This includes technical leadership of specific code modules and general team-based contribution to engineering projects.
• Collaborating across broader engineering, product, and program organizations, you will take the developed products to market with a strong focus on partner and customer engagement.
• Engaging with the broader quantum chemistry community, contributing knowledge that helps drive adoption of GPU-accelerated quantum chemistry and carrying new developments from the field back to your teammates to accelerate our work.

What we need to see

• 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

Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 184,000 USD - 287,500 USD for Level4, and 224,000 USD - 356,500 USD for Level5.

You will also be eligible for equity and benefits.

Equal Opportunity Employer

NVIDIA is committed to fostering an inclusive work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law.