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Full Time Molecular Dynamics Simulation Jobs (NOW HIRING)

Perform molecular dynamics simulations of chemically modified oligonucleotide duplexes and single-stranded species to characterize the structural and thermodynamic consequences of sugar, backbone ...

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Full Time Molecular Dynamics Simulation information

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$39K

$123.4K

$190.5K

How much do full time molecular dynamics simulation jobs pay per year?

As of May 31, 2026, the average yearly pay for full time molecular dynamics simulation in the United States is $123,399.00, according to ZipRecruiter salary data. Most workers in this role earn between $92,000.00 and $146,500.00 per year, depending on experience, location, and employer.
What are the most commonly searched types of Molecular Dynamics Simulation jobs? The most popular types of Molecular Dynamics Simulation jobs are:

Manager, Molecular Simulation Engineering

NVIDIA AI

Santa Clara, CA • On-site

Full-time

Posted 8 days ago


Job description

Job Summary:
NVIDIA AI is a leader in computer graphics and accelerated computing, now focusing on AI to shape the future of computing. They are seeking a hands-on technical manager to lead the Molecular Simulation Engineering team, responsible for developing GPU-native simulation software for the scientific community.
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:
Required:
• 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.
Preferred:
• 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.
Company:
Explore the latest breakthroughs made possible with AI. Founded in , the company is headquartered in Santa Clara, CA, US, , with a team of 10001+ employees. The company is currently Late Stage.