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Manager, Molecular Simulation Engineering

NVIDIA· Mgmt, Sys SW
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Santa Clara, CA$224k - $356.5k + equityfull-timePosted 4mo ago

About the role

Technical manager leading the MD Simulation Engineering team to enable GPU-native molecular dynamics simulation software at scale, guiding architecture, roadmap, and cross-team delivery.

Responsibilities

  • 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.
  • Define vision, strategy, and roadmap for the division's GPU-accelerated simulation software.
  • Own end-to-end delivery across multiple workstreams; align partners, lead cross-team dependencies, and drive predictable execution.
  • Partner with Applied Science teams to translate research prototypes into production-quality, benchmarked software.
  • Build and maintain relationships with the community dedicated to molecular dynamics' modeling to ensure the team is delivering what the community needs.
  • Drive engineering completion: code quality, CI/CD, multi-SKU validation, and documentation standards.
  • Communicate progress, risks, and decisions clearly.

Qualifications

  • 8+ overall years of software engineering experience, including 3+ years being responsible for an engineering team with direct reports.
  • Strong technical foundation in GPU computing and high-performance scientific software; ability to review builds, influence architectural directions, and maintain a high engineering standard across the team's work.
  • Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs — you understand what it takes to go from prototype to a product that external developers depend on.
  • Familiarity with molecular dynamics simulation concepts (force fields, electrostatics, neighbor lists, periodic boundary conditions) sufficient to engage credibly with both colleagues and the MD simulator community.
  • Proven record to lead multi-functional dependencies, work across interpersonal boundaries without direct authority, and communicate technical progress clearly to senior leadership.
  • BS/MS in Computer Science, Computational Science, Physics, Chemistry, or a related field, or equivalent experience.

Skills

Required:Software engineering leadershipGPU computing / high-performance scientific computingProduction GPU libraries / scientific computing softwareMolecular dynamics concepts

Benefits

  • Competitive salaries
  • Equity
  • Comprehensive benefits package
Last updated Jul 3, 2026. Interested? Apply on the company site.

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