Manager, Molecular Simulation Engineering

Details

NVIDIA BioNeMo is building the computational foundation for the next generation of biological discovery. The Molecular Dynamics Simulation Engineering team enables biological simulation engines at scale. This hands-on technical management role leads engineers building GPU-native simulation software for the scientific community, while guiding architecture, roadmap development, cross-team coordination, and team growth.

Responsibilities

• Lead, hire, and develop software engineers within a collaborative unit, fostering ownership, engineering excellence, and direct collaboration with researchers and field authorities.
• Define the vision, strategy, and roadmap for GPU-accelerated simulation software.
• Own end-to-end delivery across multiple workstreams, align partners, manage 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 molecular dynamics modeling community to ensure the team delivers what the community needs.
• Drive engineering completion, including code quality, CI/CD, multi-SKU validation, and documentation standards.
• Communicate progress, risks, and decisions clearly.

Requirements

• 8+ years of overall software engineering experience, including 3+ years of responsibility for an engineering team with direct reports.
• Strong technical foundation in GPU computing and high-performance scientific software, with the ability to review builds, influence architectural direction, and maintain high engineering standards.
• Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs, with an understanding of taking prototypes to products that external developers depend on.
• Familiarity with molecular dynamics simulation concepts, including force fields, electrostatics, neighbor lists, and periodic boundary conditions.
• Proven ability to lead multifunctional dependencies, work across interpersonal boundaries without direct authority, and communicate technical progress clearly to senior leadership.
• BS or MS in Computer Science, Computational Science, Physics, Chemistry, or a related field, or equivalent experience.

Preferred Qualifications

• Experience shipping a GPU-accelerated scientific computing library or contributing to a major open-source molecular dynamics simulation engine.
• PhD-level education or comparable experience in computational chemistry, biophysics, applied mathematics, or computer science focused on HPC or scientific computing.
• Experience with GPU compiler toolchains or kernel delivery mechanisms.
• Experience translating algorithmic research into a shipped, benchmarked product across applied science and engineering teams.
• Active engagement in the molecular dynamics or computational chemistry community through publications, conference talks, or open-source contributions.

Benefits

NVIDIA offers competitive salaries, equity, and a comprehensive benefits package. The role is eligible for benefits and equity.

Applications for this job will be accepted at least until May 26, 2026. NVIDIA uses AI tools in its recruiting processes and is an equal opportunity employer.