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Senior Software Engineer — MD Simulation Engineering

NVIDIA· Engineer, Sys SW
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Santa Clara, CA$184k - $287.5k + equityfull-timePosted 4mo ago

About the role

Senior Software Engineer to join NVIDIA BioNeMo MD Simulation Engineering, building GPU-native, high-performance molecular dynamics primitives and integrating them into major MD engines, with emphasis on CUDA kernel development, CI/CD for multi-SKU builds, and collaboration with Applied Science teams.

Responsibilities

  • 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.

Qualifications

  • 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.

Skills

Required:CUDAC/C++

Benefits

  • Competitive salaries
  • Generous benefits package
  • Equity and benefits (as part of compensation)
  • Base salary ranges: 184,000 USD - 287,500 USD (Level 4) and 224,000 USD - 356,500 USD (Level 5)
Last updated Oct 23, 2026. Interested? Apply on the company site.

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