Manager, Molecular Simulation Engineering

NVIDIA Corporation; Santa Clara (CA); On-site; USD 224,000 - 357,000; Full time

Benefits offered by this job

Competitive salary

Equity

Benefits package

Job summary

NVIDIA Corporation seeks a hands-on technical manager to lead the MD Simulation Engineering team within NVIDIA BioNeMo. You will guide the GPU‑native simulation software roadmap, own end-to-end delivery, and mentor engineers while coordinating with researchers and external partners.

You will build production-quality software from research prototypes, ensure CI/CD and documentation standards, and drive community engagement in molecular dynamics.

Qualifications

• 8+ years of software engineering experience, with 3+ years leading an engineering team.
• Strong foundation in GPU computing and high-performance scientific software; review builds and guide architectural directions.
• Experience shipping production GPU libraries, scientific computing software, or developer-facing APIs.
• Familiarity with molecular dynamics concepts sufficient to engage credibly with the MD community.
• Proven ability to lead multi-functional dependencies and communicate progress to senior leadership.
• BS/MS in Computer Science, Computational Science, Physics, Chemistry, or related field, or equivalent experience.

Responsibilities

• Lead, hire, and develop software engineers; foster ownership and collaboration.
• Define vision, strategy, and roadmap for GPU-accelerated simulation software.
• Own end-to-end delivery across multiple workstreams and dependencies.
• Partner with Applied Science teams to productionize research prototypes.
• Engage the MD simulation community to align on needs.
• Maintain code quality, CI/CD, multi-SKU validation, and docs.
• Communicate progress, risks, and decisions clearly to stakeholders.

Skills

Team leadership

GPU computing

High-performance computing

Production-grade software development

Education

BS/MS in Computer Science or related field

Equivalent experience

Tools

GPU toolchains

Kernel development

Continuous integration

Job description

About NVIDIA

NVIDIA has been transforming computer graphics, PC gaming, and accelerated computing for more than 25 years. It’s a unique legacy of innovation that’s fueled by great technology—and amazing people. Today, we’re tapping into the unlimited potential of AI to define the next era of computing. An era in which our GPU acts as the brains of computers, robots, and self-driving cars that can understand the world. Doing what’s never been done before takes vision, innovation, and the world’s best talent. As an NVIDIAN, you’ll be immersed in a diverse, supportive environment where everyone is inspired to do their best work. Come join the team and see how you can make a lasting impact on the world.

Role Overview

NVIDIA BioNeMo is building the computational foundation for the next generation of biological discovery. We are looking for a hands‑on technical manager to lead our MD Simulation Engineering team — a focused group whose mission is to enable biological simulation engines at scale. You will lead a team of engineers building the GPU‑native simulation software the scientific community depends on. This role combines player and mentor responsibilities. You will maintain technical credibility throughout the group's efforts and guide architectural decisions. You also be responsible for the roadmap, coordinate dependencies with NVIDIA and external partners, and support team growth.

What You'll Be Doing

• 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.

What We Need to See

• 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.

Ways to Stand Out from the Crowd

• You 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.
• You have worked across the boundary between applied science and engineering — taking algorithmic research and turning it into a shipped, benchmarked product.
• Active engagement in the MD simulation or computational chemistry community through publications, conference talks, or open‑source contributions.

Benefits

Widely considered to be one of the technology world’s most desirable employers, NVIDIA offers highly competitive salaries and a comprehensive benefits package. As you plan your future, see what we can offer to you and your family www.nvidiabenefits.com/ Your base salary will be determined based on your location, experience, and the pay of employees in similar positions. The base salary range is 224,000 USD - 356,500 USD. You will also be eligible for equity and benefits.

Application Deadline

Applications for this job will be accepted at least until May 26, 2026.

Equal Opportunity Statement

NVIDIA uses AI tools in its recruiting processes. NVIDIA is committed to fostering a diverse work environment and proud to be an equal opportunity employer. As we highly value diversity in our current and future employees, we do not discriminate (including in our hiring and promotion practices) on the basis of race, religion, color, national origin, gender, gender expression, sexual orientation, age, marital status, veteran status, disability status or any other characteristic protected by law. NVIDIA pioneered accelerated computing.

About NVIDIA

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