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Computational Materials Engineer Jobs (NOW HIRING)

SES

Computational Materials Scientist

Woburn, MA · On-site +1

$180K - $200K/yr

This powerful combination of "AI for science" and material engineering enables batteries that can ... As a Computational Materials Scientist, you will be a core data-driven modeler responsible for ...

Entegris, Inc.

$67K - $92K/yr

You will work in close partnership with experimental scientists, engineers, R&D leaders, and cross ... Strong foundation in computational materials science, computational chemistry, molecular modeling ...

NextGenEnergyJobs

$180K - $200K/yr

The SES AI Prometheus team is seeking an exceptional Computational Materials Scientist to combine ... engineering. * Access to state-of-the-art facilities and proprietary technologies are used to ...

Booz Allen Hamilton

Materials Engineer

Warren, MI · On-site

$69K - $158K/yr

Leverage integrated computational materials engineering (ICME) and AI models to accelerate discovery of novel alloys, high-performance battery chemistries, and structural composite configuration.

Booz Allen Hamilton, Inc.

Materials Engineer

Warren, MI · On-site

$69K - $158K/yr

Leverage integrated computational materials engineering (ICME) and AI models to accelerate discovery of novel alloys, high-performance battery chemistries, and structural composite configuration.

Booz Allen Hamilton, Inc.

Materials Engineer

Warren, MI · On-site +1

$69K - $158K/yr

Leverage integrated computational materials engineering (ICME) and AI models to accelerate discovery of novel alloys, high-performance battery chemistries, and structural composite configuration.

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How much do computational materials engineer jobs pay per year?

As of Sep 11, 2026, the average yearly pay for computational materials engineer in the United States is $90,511.00, according to ZipRecruiter salary data. Most workers in this role earn between $68,500.00 and $105,000.00 per year, depending on experience, location, and employer.

What does a computational materials engineer do?

A Computational Materials Engineer uses computer simulations and modeling techniques to understand, design, and optimize materials for various applications. They apply principles from physics, chemistry, and engineering to predict how materials will behave under different conditions, which helps in developing new materials with specific properties. Their work often involves using specialized software and high-performance computing resources to analyze atomic or molecular structures. This approach accelerates the discovery and improvement of materials used in industries like aerospace, electronics, and energy.

What are the key skills and qualifications needed to thrive as a computational materials engineer?

To thrive as a Computational Materials Engineer, you need a strong background in materials science, physics, and engineering, typically supported by a relevant degree such as materials science, chemical engineering, or physics. Proficiency in simulation software (such as VASP, LAMMPS, or COMSOL), programming languages (like Python or MATLAB), and experience with high-performance computing environments are essential. Strong analytical thinking, attention to detail, and effective collaboration and communication skills help you interpret complex data and work within multidisciplinary teams. These competencies are crucial for developing innovative materials solutions, optimizing material properties, and advancing research and development in various industries.

What are some common challenges faced by computational materials engineers when working with interdisciplinary teams?

Computational Materials Engineers often collaborate with experimental scientists, mechanical engineers, and product designers. One common challenge is effectively communicating complex simulation results and theoretical predictions in a way that is accessible to team members with different backgrounds. Additionally, aligning computational findings with experimental data can require patience and flexibility, as discrepancies may arise due to real-world variables not accounted for in models. Success in this role often depends on strong communication skills, adaptability, and a willingness to learn from various disciplines.

What cities are hiring for Computational Materials Engineer jobs?

Cities with the most Computational Materials Engineer job openings:

What states have the most Computational Materials Engineer jobs?

States with the most job openings for Computational Materials Engineer jobs include:

What are popular job titles related to Computational Materials Engineer jobs?

For Computational Materials Engineer jobs, the most frequently searched job titles are:

Infographic showing various Computational Materials Engineer job openings in the United States as of September 2026, with employment types broken down into 1% As Needed, 82% Full Time, 13% Part Time, 1% Temporary, 2% Contract, and 1% Nights. Highlights an 91% Physical, 2% Hybrid, and 7% Remote job distribution, with an average salary of $90,511 per year, or $43.5 per hour.

Computational Materials Scientist

West Mifflin, PA • On-site

Naval Nuclear Laboratory
See more jobs at Naval Nuclear Laboratoryexternal

$86K - $134K/yr

Other

Medical, Dental, Vision, Life, Retirement, PTO

Re-posted 7 days ago

Naval Nuclear Laboratory rating

9.1

Company rating: 9.1 out of 10

Based on 7 frontline employees who took The Breakroom Quiz

Job description

About Us

Working at the Naval Nuclear Laboratory we foster pride in belonging to an organization whose culture is made up of these core values: Trust, Empowerment, and Collaboration. Our company promotes a positive culture while ensuring the safety and reliability of our nation's naval nuclear reactors, and training the Sailors who operate those reactors in the U.S. Navy's submarines and aircraft carrier Fleets. Looking for a lifetime career? Apply today!

Job Description

The Plant Materials Engineering group in the Plant Materials Technology subdivision is seeking a motivated computational materials scientist with a strong research history of model development and computational simulation. The focus of the work is on the development of a virtual materials testing environment, which is a mesoscale digital twin to environment accelerated testing. This challenging work is used to support improvements in testing, the structural design basis, and the management of deformation/cracking issues in plant materials. In this role, the successful candidate would join a team of engineers who are responsible for driving development, innovation, and implementation of these computational materials models through internal and external interfaces.

The successful candidate will be a member of a diverse team of scientists and engineers engaged in experimental and advanced characterization work and will be expected to cultivate and maintain appropriate collaborative relationships with internal and external research partners.

Required Combination of Knowledge and Skill
Bachelors degree from an accredited college or university in a related technical, engineering or science field and a minimum of 4 years of relevant experience; or Masters degree from an accredited college or university in a related technical, engineering or science field and a minimum of 2 years of relevant experience; or Doctorate degree from an accredited college or university in a related technical, engineering, science field; or Currently an Advanced Reactor Training Engineer, Refueling Engineer, or Field (RPCO) Engineer at the Company.
Preferred Skills
  • Ph.D. in materials science or related field with experience in mesoscale simulation techniques and/or fracture mechanics
  • Solid command of fortran, C++ and/or Python with experience in high performance computing systems
Compensation and Benefits
  • Health, Dental, Vision & Voluntary Benefits
  • Disability, Life & Accident Insurance
  • 401(k) Savings program & Capital Accumulation Plan
  • Personal & Medical Time Off
  • Paid Parental Leave
  • Flexible Work Schedules
  • Tuition Assistance for Eligible Employees
  • Student Debt Benefit Personal Time Off Sell Program
  • Employee Assistance Program (EAP)
  • Wellness Program
  • Visit us online to view all NNL benefits!
Pay Range
$86,100.00 - $134,600.00 annually
Salary information provided is a general guideline only. Annual salary is based upon candidate experience and qualifications, as well as market and business considerations.

The Naval Nuclear Laboratory is operated for the U.S. Department of Energy (DOE) by Fluor Marine Propulsion, LLC (FMP), a wholly owned subsidiary of Fluor Corporation. Naval Nuclear Laboratory personnel are FMP employees who work at four DOE facilities: Bettis Atomic Power Laboratory, Knolls Atomic Power Laboratory, Kenneth A. Kesselring Site, and Naval Reactors Facility, and at the U.S. Department of Defense-owned Nuclear Power Training Unit-Charleston. FMP employees also have an established presence at numerous shipyards and vendor locations. For nearly 70 years, the Naval Nuclear Laboratory has developed advanced nuclear propulsion technology, provided technical support, and trained world-class nuclear operators to ensure the safe and reliable operation of our nation's submarine and aircraft carrier Fleets. The Naval Nuclear Laboratory is a national asset solely dedicated to the Naval Nuclear Propulsion Program. We rely on the dedication and innovation of our nearly 8000 engineers, scientists, technicians, and support personnel.

All candidates must be U.S. citizens. Applicants selected will be subject to a Federal background investigation and must meet eligibility requirements for access to classified matter. FMP is a government contractor and maintains a drug free workplace and workforce. All candidates must be able to pass a drug test in compliance with FMP company policy and 10 CFR 707. Marijuana is a Federal Schedule I controlled substance and illegal under Federal Law. Therefore, FMP is required to test for marijuana.

Fluor Marine Propulsion, LLC is an Equal Opportunity Employer, including disability/vets. All qualified applicants will receive consideration for employment without regard to race, color, age, sex, religion, national origin, disability, veteran status, genetic information, or any other criteria protected by federal, state, or local law.

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