Manager, Molecular Simulation Engineering

NVIDIA NVIDIA · Semiconductors · Santa Clara, CA

Manager for a team building GPU-accelerated molecular dynamics simulation software for the scientific community, focusing on translating research prototypes into production-quality software.

What you'd actually do

  1. Lead, hire, and develop software engineers within a collaborative unit; build a culture of ownership, engineering excellence, and direct collaboration with researchers and authorities in the field.
  2. Define vision, strategy, and roadmap for the division's GPU-accelerated simulation software.
  3. Own end-to-end delivery across multiple workstreams; align partners, lead cross-team dependencies, and drive predictable execution.
  4. Partner with Applied Science teams to translate research prototypes into production-quality, benchmarked software.
  5. Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ensure the team is delivering what the community needs.

Skills

Required

  • 8+ overall years of software engineering experience
  • 3+ years being responsible for an engineering team with direct reports
  • Strong technical foundation in GPU computing and high-performance scientific software
  • Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs
  • Familiarity with molecular dynamics simulation concepts
  • Proven record to lead multi-functional dependencies
  • BS/MS in Computer Science, Computational Science, Physics, Chemistry, or a related field, or equivalent experience

Nice to have

  • shipped a GPU-accelerated scientific computing library or supplied to a major open-source MD simulation engine
  • PhD-level education or comparable experience in computational chemistry, biophysics, applied mathematics, or computer science with a focus on HPC or scientific computing
  • Experience with GPU compiler toolchains or kernel delivery mechanisms
  • worked across the boundary between applied science and engineering
  • Active engagement in the MD simulation or computational chemistry community through publications, conference talks, or open-source contributions

What the JD emphasized

  • production GPU libraries
  • scientific computing software
  • developer-facing APIs
  • GPU-accelerated scientific computing library
  • major open-source MD simulation engine
  • algorithmic research
  • shipped, benchmarked product