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Computational Materials Science Jobs (NOW HIRING)

Novelis

Lead Modeling Scientist

Kennesaw, GA

D.) in Materials Science, Mechanical Engineering, or a related field, with more than ten years of experience in computational modeling. * Expertise in metallurgy and materials science, as well as ...

Novelis Global R&T

Lead Modeling Scientist

Kennesaw, GA · On-site

D.) in Materials Science, Mechanical Engineering, or a related field, with more than ten years of experience in computational modeling. * Expertise in metallurgy and materials science, as well as ...

The Pennsylvania State University

Work alongside experts in materials science, metallurgy, engineering and performance modeling to ... Working knowledge of computational and analytical corrosion research methods * Comfortable working ...

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Computational Materials Science information

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$142.5K

$168.8K

$192.5K

How much do computational materials science jobs pay per year?

As of Aug 14, 2026, the average yearly pay for computational materials science in the United States is $168,844.00, according to ZipRecruiter salary data. Most workers in this role earn between $155,500.00 and $182,000.00 per year, depending on experience, location, and employer.

What are the key skills and qualifications needed to thrive as a computational materials scientist, and why are they important?

To thrive as a Computational Materials Scientist, you need a solid background in materials science, physics, or chemistry, often with a graduate degree and experience in scientific computing. Proficiency with simulation software (such as VASP, LAMMPS, or Quantum ESPRESSO), programming languages (like Python, C++, or Fortran), and familiarity with high-performance computing systems is typically required. Critical thinking, problem-solving abilities, and effective collaboration and communication skills set outstanding candidates apart. These competencies are crucial for designing, executing, and interpreting complex simulations and for translating computational insights into real-world materials innovations.

What is the difference between Computational Materials Science vs Materials Engineer?

AspectComputational Materials ScienceMaterials Engineer
Required CredentialsTypically requires a PhD or Master's in materials science, physics, or chemistryBachelor's or Master's in materials engineering or related field
Work EnvironmentResearch labs, universities, or R&D departments focusing on simulations and modelingManufacturing plants, design offices, or product development teams
Industry UsagePrimarily in research, academia, and advanced R&D projectsProduction, quality control, and product development in manufacturing industries
Common Search/ComparisonYesYes

Computational Materials Science focuses on using computer simulations and modeling to understand and predict material behavior, often requiring advanced degrees. Materials Engineers work on designing, testing, and improving materials in practical applications, usually with a bachelor's or master's degree. While both roles are integral to materials development, Computational Materials Science is more research-oriented, whereas Materials Engineering emphasizes application and production.

What are some common challenges faced by professionals in computational materials science, and how can they be addressed?

Professionals in Computational Materials Science often encounter challenges such as dealing with large datasets, managing the complexity of multi-scale simulations, and ensuring the accuracy of computational models. Addressing these challenges typically involves staying updated on the latest simulation software, collaborating closely with experimental teams to validate results, and developing strong programming and data analysis skills. Effective communication and interdisciplinary teamwork are also key, as projects often require input from chemists, physicists, and engineers to achieve successful outcomes.

What are computational materials science jobs?

Jobs in computational materials science include academic and research positions in university settings. You can also find positions in the manufacturing industry. As a research scientist in computational materials science, your duties are to develop hypotheses and test them using computational modeling software and a variety of investigatory tools, such as Monte Carlo algorithms, density function theory, phase field models, and finite element methods. Your responsibilities include gathering data, testing modeling software, collaborating with other researchers to develop tools that aid them in their research, and analyzing data to write reports, journal articles, or presentations for conferences.

What is computational materials science?

Computational materials science is a field that uses computer-based simulations and modeling to understand, predict, and design the properties and behaviors of materials. Researchers use mathematical models, algorithms, and high-performance computing to study materials at the atomic, molecular, or macroscopic level. This approach allows scientists to accelerate the discovery of new materials, optimize existing ones, and investigate phenomena that may be difficult or expensive to study experimentally.

Is computational chemistry a good career?

Computational chemistry is a valuable field within computational materials science, involving the use of computer simulations and modeling to study chemical systems. It offers opportunities in research, pharmaceuticals, and materials development, often requiring skills in programming, chemistry, and physics. The career can be rewarding with a strong job outlook, especially for those with advanced degrees and expertise in simulation tools and data analysis.
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Computational Materials Science jobs near you
Infographic showing various Computational Materials Science job openings in the United States as of August 2026, with employment types broken down into 83% Full Time, 12% Part Time, 1% Temporary, 3% Contract, and 1% Nights. Highlights an 94% Physical, 1% Hybrid, and 5% Remote job distribution, with an average salary of $168,844 per year, or $81.2 per hour.

Modeling Engineer (Finite Element Analysis)

Next Gen Alloys

Monroe, NC

Full-time

Re-posted 2 days ago

Job description

Proven to Perform.
From the edges of space to the bottoms of ocean, our materials are proven to perform -- and so is our team. We're hiring high performers as proven as our products. Join us.

We are currently looking to hire a Modeling Engineer - FEA to support ATI's Technical Research and Development Teams. As a Modeling Engineer you will contribute to and expand ATI Specialty Material's capabilities in computational materials science by developing and utilizing process models to address issues relating to the manufacture of specialty alloys and make predictions of relevant properties at various stages through the manufacturing process. This is an onsite position based at our Monroe, NC facility.

A successful Modeling Engineer is also a thought-leader, and problem solver who enthusiastically tackle challenges and achieves results while dealing with ambiguity and change that accompanies working in a research environment. To add to your knowledge, you will also need to periodically visit relevant manufacturing facilities in order to gain insight into the issues to be addressed.

Responsibilities

  • Utilize process simulation to support manufacturing process improvements that result in better product quality and lower manufacturing costs.
  • Conduct testing and characterization in order to generate data necessary for model development, validation.
  • Communicate results to management, colleagues, and customers in the form of written reports and oral presentations.
  • Propose, defend and execute project concepts for new products, cost savings, quality improvement, and process innovation. Collaborate with technology and research colleagues across ATI.
  • Maintain industry expertise and current knowledge of developments in process modeling by experimentation, attending meetings and conferences conducted by trade associations, by reviewing trade and technical literature and by periodic visit to customer, supplier, and other ATI manufacturing locations.

Basic Qualifications

  • M.S. or Ph.D. degree in Mechanical/Materials Science Engineering with experience in one of the following areas: metallurgical process modeling, integrated computational materials engineering, finite element analysis, computational fluid dynamics and/or numerical methods to solve engineering problems.
  • At least 2 years of relevant modeling work experience.
  • Experience in modeling fluid flow and or solidification of metals (or) Experience in modeling forging of metals, grain size prediction.
  • Experience in one or more relevant commercial FEA programs.

Preferred Qualifications (in addition to Basic Qualifications)

  • 3+ years of experience with one or more of the following: Ni-base superalloys, titanium alloys, specialty steels, or metal powders.
  • Experienced in DEFORM software suite.
  • Experienced in C++/FORTRAN/Python programming. Experience in developing User subroutines experience a big plus.
  • Experienced in using Machine learning for solving materials science problems.
  • Experience in thermodynamic packages.
We thrive when the expectations are great, and the barriers are high. We're solving the world's most difficult challenges through materials science. Our advanced, integrated process technologies and proven performers give us a tremendous competitive advantage. When customers systems need to fly higher, dig deeper, stand stronger, and last longer -- anywhere on, above or below the earth -- ATI is proven to perform.


*It is ATI's policy to not provide immigration sponsorship for any of the company's positions.
ATI and its subsidiary companies will provide equal employment opportunities to all applicants without regard to applicant's race, color, religion, sex, sexual orientation, gender identity, genetic information, national origin, age, veteran status, disability status, or any other status protected be federal or state law. The company will provide reasonable accommodations to allow an applicant to participate in the hiring process if so requested.

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