ZipRecruiter

Log In

1

Molecular Dynamics Simulation Phd Jobs (NOW HIRING)

UAB

SCIENTIST III

Tampa, FL

... molecular dynamics, agentic AI and autonomous research systems, clinical trial simulations, virtual ... PhD completed within the last 10 years preferred. * AI/ML Expertise: Deep proficiency with modern ...

UAB NOVA RENT

SCIENTIST III

Birmingham, AL · On-site

... molecular dynamics, agentic AI and autonomous research systems, clinical trial simulations, virtual ... PhD completed within the last 10 years preferred. * AI/ML Expertise: Deep proficiency with modern ...

1910

Computational Theoretical Chemist II

Boston, MA

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 ...

1910

Computational Theoretical Chemist II

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist III

Boston, MA · On-site

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 ...

1910

Computational Theoretical Chemist II

Boston, MA

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 ...

previous pagenext page

Showing results 21-40

All JobsMolecular Dynamics Simulation Phd Jobs

Molecular Dynamics Simulation Phd information

See salary details

$39K

$123.4K

$190.5K

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.
More about Molecular Dynamics Simulation Phd jobs
What cities are hiring for Molecular Dynamics Simulation Phd jobs? Cities with the most Molecular Dynamics Simulation Phd job openings:
What states have the most Molecular Dynamics Simulation Phd jobs? States with the most job openings for Molecular Dynamics Simulation Phd jobs include:
What job categories do people searching Molecular Dynamics Simulation Phd jobs look for? The top searched job categories for Molecular Dynamics Simulation Phd jobs are:
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.

Lead Scientific Developer - Biologics & Protein Design

OpenEye, Cadence Molecular Sciences

Santa Fe, NM • On-site

Full-time

Re-posted 16 days ago

Job description

Job Summary:
OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design. The lead scientific software developer will work on biologics and protein design, developing scalable solutions and collaborating with industry experts to advance drug discovery.
Responsibilities:
• Work on challenging problems and help find practical solutions that advance the field of computational biologics drug discovery
• Develop highly scalable and integrated solutions for biologics drug discovery in the cloud
• Develop data-driven models using sequence and 3D molecular shape representations leveraging AI and physics-based approaches
• Expand OpenEye’s biomolecular modeling and protein informatics technologies
• Collaborate with great colleagues within our group, within OpenEye & Cadence, as well as within the broader pharmaceutical industry on developing new methods, tools, and solutions
Qualifications:
Required:
• PhD (or equivalent experience) in computational chemistry, structural biology, biochemistry, or related field with at least 5 years relevant experience
• Strong desire to change the field of biologics drug discovery through hard work, creating robust software tools, and critical scientific evaluation.
• Demonstrated ability to work both independently and as part of a team. Ability to work humbly with others, admitting mistakes and constructively working through differences in opinion.
• Experience with molecular dynamics simulations and machine learning
• Programming expertise, ideally in Python, preferably with experience using AI coding agents
• Proven track record of delivering software solutions
Preferred:
• Expertise with traditional machine learning and/or modern deep learning methods
• Experience with OpenEye software/toolkits or other computational chemistry toolkits
• Experience with protein language models and protein folding technologies
• Experience with modeling antibodies based on sequence and structural data
Company:
OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and technology and design services across the drug discovery process. Founded in 1997, the company is headquartered in Santa Fe, USA, with a team of 51-200 employees. The company is currently Growth Stage.

Apply