NVIDIA
AI, Computing, Computational Biology, Scientific Simulation
SeniorSoftwareEngineer
Neural analysis suggests this role is
optimal for Senior candidates.
“Senior Software Engineer at NVIDIA. Skills: CUDA, GPU programming, C++, MD Simulation. Build, implement, and optimize CUDA kernels. End-to-end delivery of GPU-accelerated simulation math”
What You'll Achieve.
enable biological simulation engines at scale; deliver high-performance math primitives; see your work in the hands of researchers worldwide
Industry & Context.
What They're Looking For.
Must Have
8+ years of software engineering experience, CUDA, GPU programming, C, C++, high-performance computing, molecular dynamics simulation concepts, scientific software libraries, simulation engines, developer-facing GPU APIs
Nice to Have
supplied to or deeply used a major MD simulation engine, GPU compiler toolchains, kernel delivery mechanisms, SPME, Ewald summation, long-range electrostatics methods, PhD or equivalent experience in computational chemistry, biophysics, mathematical modeling, or computer science with a focus on HPC or scientific computing, mixed-precision or tensor-core-aware algorithm build for scientific workloads, contributions to open-source MD simulation or GPU computing projects
What You'll Do.
and optimize CUDA kernels
End-to-end delivery of GPU-accelerated simulation math
Integrate simulation primitives into major MD engines
Drive CI/CD infrastructure
Collaborate with Applied Science teams
Translate research prototypes into production-quality software
How You'll Work.
Team & Collaboration
direct collaboration with the MD simulation ecosystem; Collaborate with Applied Science teams
Full Job Description
NVIDIA has been transforming computer graphics, PC gaming, and accelerated computing for more than 25 years. It’s a unique legacy of innovation that’s fueled by great technology—and amazing people. Today, we’re tapping into the unlimited potential of AI to define the next era of computing. An era in which our GPU acts as the brains of computers, robots, and self-driving cars that can understand the world. Doing what’s never been done before takes vision, innovation, and the world’s best talent. As an NVIDIAN, you’ll be immersed in a diverse, supportive environment where everyone is inspired to do their best work. Come join the team and see how you can make a lasting impact on the world. NVIDIA BioNeMo is building the computational foundation for the next generation of biological discovery. We are looking for a Senior Software Engineer to join our MD Simulation Engineering team, whose mission is to enable biological simulation engines at scale. This team builds the GPU-native simulation software that powers molecular dynamics at scale. We work at the intersection of GPU computing and computational biology — delivering high-performance math primitives that simulation software depends on to fully exploit NVIDIA hardware across GPU generations. The work spans kernel engineering, software architecture, and direct collaboration with the MD simulation ecosystem. If you want to define how scientific simulation is accelerated on modern hardware and see your work in the hands of researchers worldwide, this is the role. **What You Will Be Doing:** * 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. * Collabo
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