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# Software Engineer - MD Simulation Engineering

- **Company:** NVIDIA Ltd.
- **Location:** United States
- **Experience:** Expert
- **Salary:** $184,000.0 - $287,500.0
- **Contract:** Permanent contract
- **Skills:** Application Programming Interfaces (APIs), Artificial Intelligence, Automation of Tests, C++ (Programming Language), Nvidia CUDA, Computer Programming, Continuous Delivery, Continuous Integration, General-Purpose Computing on Graphics Processing Units, Open Source Technology, Software Architecture, Regression Testing, Scientific Computating, Software Engineering, Graphics Processing Unit (GPU), High Performance Computing, Performance Testing, Gpu Programming, Information Technology, Software Library
- **Published:** July 31, 2026
- **Apply:** https://www.careerbuilder.com/job-details/senior-software-engineer-md-simulation-engineering-ca--a941d68c-de1b-41ab-b207-6367365a8453

## About the Role

* 8+ years of software engineering experience with a strong background in CUDA and GPU programming.
 * Deep proficiency in C and C++; comfort navigating and chipping in to large, sophisticated codebases.
 * Strong foundation in high-performance computing
 * Familiarity with molecular dynamics simulation concepts
 * Experience building or supplying to 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.

Ways to Stand Out from the Crowd:

 * You have supplied to or deeply used a major MD simulation engine
 * Experience with GPU compiler toolchains, 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 as well as contributions to open-source MD simulation or GPU computing projects., Algorithms, Application Programming Interface (API), Artificial Intelligence (AI), Autonomous Driving Systems, Biological Simulation, Biology, Biophysics, CUDA (Compute Unified Device Architecture), Computational Chemistry, Computational Physics, Computer Science, Continuous Deployment/Delivery, Continuous Integration, Ecosystems, Engineering, GPU (Graphics Processing Unit), Kernel Programming, Mathematical Modeling, Mathematics, Open Source, Performance Testing, Prototyping, Regression Testing, Science Software, Simulation, Software Architecture, Software Engineering, Software Simulation, Stock Keeping Unit (SKU), Test Automation

## Description

* 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.


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