Senior Software Engineer — MD Simulation Engineering

Overview

NVIDIA Bio Ne Mo  is building the computational foundation for the next generation of biological discovery. The MD Simulation Engineering team’s mission is to enable biological simulation engines at scale by building GPU‑native simulation software that powers molecular dynamics at scale.

• Build, implement, and optimize CUDA kernels for core MD simulation primitives
• Be responsible for the end‑to‑end delivery of GPU‑accelerated simulation math to external partners and the broader MD ecosystem
• Integrate simulation primitives into major MD engines
• Drive CI/CD infrastructure for multi‑SKU kernel builds, automated performance regression testing, and cross‑simulator validation across NVIDIA GPU generations
• Collaborate with Applied Science teams to evaluate new algorithms and translate research prototypes into production‑quality, shipped software

• 8+ years of software engineering experience with a strong background in CUDA and GPU programming
• Deep proficiency in C and C++; comfort navigating and contributing to large, sophisticated codebases
• Strong foundation in high‑performance computing
• Familiarity with molecular dynamics simulation concepts
• Experience building or supplying scientific software libraries, simulation engines, or developer‑facing GPU APIs
• BS/MS in Computer Science, Computational Science, Physics, Applied Mathematics, or a related field, or equivalent experience

• Supplied to or deeply used a major MD simulation engine
• Experience with GPU compiler tool chains, kernel delivery mechanisms
• Hands‑on knowledge of SPME, Ewald summation, or other long‑range electrostatics methods at the implementation level
• PhD or equivalent experience in computational chemistry, biophysics, mathematical modeling, or computer science with a focus on HPC or scientific computing
• Experience with mixed‑precision or tensor‑core‑aware algorithm build for scientific workloads and contributions to open‑source MD simulation or GPU computing projects

The base salary range is $184,000–$287,500 USD for Level4 and $224,000–$356,500 USD for Level
5. Candidates are also eligible for equity and a generous benefits package.

NVIDIA is committed to fostering a diverse work environment and is proud to be an equal‑opportunity employer. We do not discriminate 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.