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Molecular Dynamics Simulation Jobs (NOW HIRING)

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulation are changing the way we develop new drugs. At 1910 , we put computation at the heart ...

... and molecular dynamics simulations) is required. The successful candidate will develop a research program characterizing how genetic variants of neuroreceptors modulate medication binding and ...

The role requires deep technical expertise across AI for science protein and antibody design, AI-driven molecular dynamics, agentic AI and autonomous research systems, clinical trial simulations ...

Advances in big chemical data, massive computing power, artificial intelligence, and molecular dynamics simulations are changing the way we develop new drugs. At 1910 , we put computation at the ...

Design and run molecular dynamics simulations, applying enhanced sampling methods to characterize protein-ligand binding and conformational dynamics * Engineer and optimize data pipelines that handle ...

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Molecular Dynamics Simulation information

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$39K

$123.4K

$190.5K

How much do molecular dynamics simulation jobs pay per year?

As of Jul 15, 2026, the average yearly pay for 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 typical daily responsibilities of someone working in Molecular Dynamics Simulation?

Professionals in Molecular Dynamics Simulation spend much of their day setting up, running, and analyzing computational experiments to model the behavior of molecules. This involves preparing input files, managing high-performance computing resources, troubleshooting simulation issues, and interpreting data using specialized software or custom scripts. Collaboration is common, as you'll often work closely with experimental scientists, research teams, or pharmaceutical developers to validate findings and refine models. Additionally, many roles require presenting results in reports or meetings and staying up to date with the latest research and methods in the field.

What are the key skills and qualifications needed to thrive in the Molecular Dynamics Simulation position, and why are they important?

To thrive in Molecular Dynamics Simulation, a strong background in chemistry, physics, or computational science—often at the graduate level—is essential, along with analytical problem-solving skills. Proficiency with simulation software such as GROMACS, LAMMPS, or AMBER, and programming languages like Python or C++, is typically required. Attention to detail, effective communication, and collaborative teamwork abilities help professionals excel in this field. These skills ensure accurate modeling of molecular systems and productive contributions within interdisciplinary scientific teams.

What is a Molecular Dynamics Simulation job?

A Molecular Dynamics (MD) Simulation job involves using computational techniques to model and analyze the physical movements of atoms and molecules over time. Professionals in this field apply physics-based equations and algorithms to study molecular interactions in areas like drug discovery, materials science, and biophysics. They typically work with specialized software, high-performance computing, and statistical analysis to interpret simulation results. This role requires expertise in computational chemistry, physics, or bioinformatics, along with programming and data analysis skills.

What cities are hiring for Molecular Dynamics Simulation jobs? Cities with the most Molecular Dynamics Simulation job openings:
What are the most commonly searched types of Molecular Dynamics Simulation jobs? The most popular types of Molecular Dynamics Simulation jobs are:
What states have the most Molecular Dynamics Simulation jobs? States with the most job openings for Molecular Dynamics Simulation jobs include:
Infographic showing various Molecular Dynamics Simulation job openings in the United States as of July 2026, with employment types broken down into 73% Full Time, 11% Part Time, and 16% Contract. Highlights an 95% In-person, and 5% Remote job distribution, with an average salary of $123,399 per year, or $59.3 per hour.
Technical Development Principal Scientist - Computational Biophysics

Technical Development Principal Scientist - Computational Biophysics

Genentech

South San Francisco, CA

$120K - $224K/yr

Full-time

Re-posted 12 days ago


Genentech rating

8.8

Company rating: 8.8 out of 10

Based on 22 frontline employees who took The Breakroom Quiz

10th of 74 rated pharmaceutical


Job description

A healthier future. It's what drives us to innovate. To continuously advance science and ensure everyone has access to the healthcare they need today and for generations to come. Creating a world where we all have more time with the people we love. That's what makes us Roche!

As part of Pharma Technical Development (PTD) our organization is committed to deliver the Pharma ambitions by bringing game-changing therapies from clinical phase I into the market to serve every patient, every day. Our core business is to develop safe, innovative and effective drugs using cutting edge technologies for manufacturing process (Drug Substance and Drug Product), clinical supply, formulation, device, packaging, and analytical development.

As an integrated partner within the drug development ecosystem, Global Biologics Pharmaceutical Development is dedicated to effectively developing innovative and patient-centered parenteral drug products including Formulation and Process Development, and Drug Delivery Systems.

The Opportunity

Are you passionate about Computational Biophysics of proteins and looking for a meaningful role? We seek a creative, highly motivated scientist with a background in computational biophysics to join the Pharmaceutical Development Department in US-Pharma Technology Development.

The Scientist will focus on evaluating, developing and employing a variety of in silico methods and workflows to support the development of biologics.

Our unique focus on physics-based simulations, specifically Molecular Dynamics, allows us to help develop and deliver better medicines by reducing problem spaces even in the absence of sizable datasets to learn from. Over the past several years, we have had great success establishing a highly scalable Molecular Dynamics platform, complete with dedicated supercomputing infrastructure.

The ideal candidate will be passionate about and capable of developing cutting-edge computational methods and physics-based simulation techniques to broaden our mechanistic understanding of physico-chemical stability of complex molecular formats and protein drug products. For this position, the chosen individual would independently design, execute and analyze in silico experiments and then inform and collaborate with other scientists and engineers to determine paths forward for drug development.

Who You Are

Requirements

  • Ph.D. in Computational Bioengineering, Biophysics, Computational Chemistry, Physics, Computer Science, Mathematics, or equivalent experience.

  • Extensive in silico expertise with at least one widely used molecular modeling and Molecular dynamics simulation package (e.g., AMBER, GROMACS, NAMD, Rosetta).

  • Familiarity with MOE, Schrodinger, docking tools, homology modeling, quantum mechanics, and structural rendering tools.

  • Familiarity with high-performance scientific computing and proficiency in at least one modern programming language (e.g., Python, Bash scripting, C).

  • Demonstrated ability to independently design, execute, and analyze in silico experiments.

  • Effective verbal and written communication skills, with proven experience collaborating in multi-disciplinary teams.

  • Ability to contribute insightful critical analysis beyond one's specific field of expertise within a scientifically diverse organization.

  • Experience in biologics pharmaceutical development is a plus, but not required.

Relocation benefits are available for this job posting.

The expected salary range for this position based on the primary location of South San Francisco, CA is $120,800 - 224,300. Actual pay will be determined based on experience, qualifications, geographic location, and other job-related factors permitted by law. A discretionary annual bonus may be available based on individual and Company performance. This position also qualifies for the benefits detailed at the link provided below.

Benefits

Genentech is an equal opportunity employer. It is our policy and practice to employ, promote, and otherwise treat any and all employees and applicants on the basis of merit, qualifications, and competence. The company's policy prohibits unlawful discrimination, including but not limited to, discrimination on the basis of Protected Veteran status, individuals with disabilities status, and consistent with all federal, state, or local laws.

If you have a disability and need an accommodation in relation to the online application process, please contact us by completing this form Accommodations for Applicants.


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About Genentech

Sourced by ZipRecruiter

A member of the Roche Group, Genentech has been at the forefront of the biotechnology industry for more than 40 years, using human genetic information to develop novel medicines for serious and life-threatening diseases. Genentech has multiple therapies on the market for cancer & other serious illnesses. Please take this opportunity to learn about Genentech where we believe that our employees are our most important asset & are dedicated to remaining a great place to work.

Industry

Scientific research and development services

Company size

10,000+ Employees

Headquarters location

South San Francisco, CA, US

Year founded

1976

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