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Molecular Dynamics Simulation Phd Jobs (NOW HIRING)

UNC-Chapel Hill

Open Rank

Chapel Hill, NC

... molecular dynamics simulations) is required. The successful candidate will develop a research ... Preferred Qualifications, Competencies, and Experience 1. PhD or MD/PhD in neuroscience ...

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Molecular Dynamics Simulation Phd information

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How much do molecular dynamics simulation phd jobs pay per year?

As of Aug 9, 2026, the average yearly pay for molecular dynamics simulation phd 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 is the difference between Molecular Dynamics Simulation Phd vs Computational Chemist?

AspectMolecular Dynamics Simulation PhdComputational Chemist
Required CredentialsPhD in Chemistry, Physics, or related fieldMaster's or PhD in Chemistry, Chemical Engineering, or related field
Work EnvironmentResearch labs, academia, industry R&DLaboratories, industry, academia
Industry UsageFocuses on simulating molecular interactions and dynamicsDesigns and applies computational models to chemical problems

While both roles involve computational modeling and require advanced degrees, Molecular Dynamics Simulation Phd specializes in simulating molecular interactions using physics-based methods, often in research settings. Computational Chemists apply a broader range of computational techniques to solve chemical problems across academia and industry. The choice depends on whether the focus is on detailed molecular dynamics or broader chemical modeling.

What is a molecular dynamics simulation PhD?

A Molecular Dynamics Simulation PhD is a doctoral program focused on the use of computational methods to study the physical movements of atoms and molecules. Students learn to develop and apply simulation techniques to investigate molecular systems, understand material properties, and predict behaviors at the atomic scale. Research in this field is commonly applied in physics, chemistry, biology, and materials science, offering insights into phenomena such as protein folding, chemical reactions, and nanomaterial design. Graduates often pursue careers in academia, research, pharmaceuticals, or computational modeling industries.

What are the key skills and qualifications needed to thrive as a molecular dynamics simulation PhD?

To thrive as a Molecular Dynamics Simulation PhD, you need a solid background in physics, chemistry, or related fields, with advanced knowledge of computational modeling and statistical mechanics, typically supported by a doctoral degree. Proficiency in programming languages (such as Python, C++, or Fortran), experience with molecular dynamics software (like GROMACS, LAMMPS, or AMBER), and familiarity with high-performance computing environments are essential. Strong problem-solving ability, attention to detail, and effective collaboration and communication skills set top candidates apart. These competencies are crucial for designing robust simulations, interpreting complex results, and contributing to interdisciplinary research teams.

What are some common challenges faced by molecular dynamics simulation PhD researchers in collaborative projects?

Molecular Dynamics Simulation PhD researchers often collaborate with experimentalists, theorists, and computational scientists, which can present challenges such as aligning different research methodologies and timelines. Communication is key, as interpreting simulation data in the context of experimental results requires mutual understanding of each team's constraints and objectives. Additionally, managing computational resources and integrating diverse software tools can be complex, especially in large, interdisciplinary projects. Developing strong project management and communication skills is essential for effectively contributing to and benefiting from collaborative research environments.
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Molecular Dynamics Simulation Phd jobs near you
Infographic showing various Molecular Dynamics Simulation Phd job openings in the United States as of August 2026, with employment types broken down into 82% Full Time, 15% Part Time, 1% Temporary, and 2% Contract. Highlights an 79% Physical, 4% Hybrid, and 17% Remote job distribution, with an average salary of $123,399 per year, or $59.3 per hour.

Manager, Molecular Simulation Engineering

NVIDIA

Santa Clara, CA • On-site

Full-time

Re-posted 19 days ago

Nvidia rating

9.6

Company rating: 9.6 out of 10

Based on 17 frontline employees who took The Breakroom Quiz

8th of 242 rated software companies

Job description

Job Summary:
NVIDIA is a leader in computer graphics and AI technology, seeking a hands-on technical manager for their MD Simulation Engineering team. The role involves leading engineers to develop GPU-native simulation software and collaborating with the scientific community to enhance biological simulations.
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:
NVIDIA is a computing platform company operating at the intersection of graphics, HPC, and AI. Founded in 1993, the company is headquartered in Santa Clara, USA, with a team of 10001+ employees. The company is currently Late Stage.

What Nvidia employees say

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Benefits

Hours and flexibility

Workplace

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About Nvidia

Sourced by ZipRecruiter

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.

Industry

Computer and electronic product manufacturing

Company size

10,000+ Employees

Headquarters location

Santa Clara, CA, US

Year founded

1993

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