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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 ...

Worcester Polytech

Post-Doctoral Fellow

Worcester, MA

$45K - $70K/yr

... computational materials science with a focus on advanced density functional theory (DFT), machine learning, and multiscale materials modeling for alloys and ceramics. The successful candidate will ...

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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How much do computational materials science jobs pay per year?

As of Jul 3, 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.
More about Computational Materials Science jobs
What cities are hiring for Computational Materials Science jobs? Cities with the most Computational Materials Science job openings:
What are the most commonly searched types of Computational Materials Science jobs? The most popular types of Computational Materials Science jobs are:
What states have the most Computational Materials Science jobs? States with the most job openings for Computational Materials Science jobs include:
What job categories do people searching Computational Materials Science jobs look for? The top searched job categories for Computational Materials Science jobs are:
Computational Materials Science jobs near you
Infographic showing various Computational Materials Science job openings in the United States as of June 2026, with employment types broken down into 1% As Needed, 98% Full Time, and 1% Part Time. Highlights an 69% Physical, 1% Hybrid, and 30% Remote job distribution, with an average salary of $168,844 per year, or $81.2 per hour.
Assistant/Associate/Full Professor

Assistant/Associate/Full Professor

Auburn University

Auburn University, AL • On-site

$90K/yr

Full-time

Posted 8 days ago

Auburn University rating

6.2

Company rating: 6.2 out of 10

Based on 44 frontline employees who took The Breakroom Quiz

475th of 544 rated colleges and universities

Job description

Overview
Materials Engineering at Auburn University invites applications for a nine-month, tenure-track faculty position, with an anticipated start date of January 2027. Exceptional candidates working in any area of materials science and engineering will receive full consideration. Candidates with expertise in AI-enabled materials synthesis and characterization, autonomous or self-driving laboratories for materials discovery, high-throughput experimentation, data-driven materials design, computational materials science, quantum materials and technologies, and advanced manufacturing are particularly encouraged to apply.
Auburn University is an R1 land-grant institution with more than 35,000 students, located in the vibrant college town of Auburn in eastern Alabama. Consistently ranked by U.S. News & World Report among the top 50 public universities in the United States, Auburn offers a rich academic environment with more than 150 graduate degree programs across 12 colleges. Auburn's Materials Engineering program, housed within the Department of Mechanical Engineering, advances research, education, and industrial engagement across the full breadth of materials science and engineering. The program has established strengths in smart materials and sensing, electronic and magnetic materials, high-temperature materials and high-entropy alloys, nanocomposites, biomaterials and polymers, computational materials science, and AI-driven materials discovery. Further details are available at the MATL website: https://www.eng.auburn.edu/matl/.
Responsibilities
The individual selected for this position will be expected to contribute to the department's growth by developing a strong, externally funded research program, collaborating on interdisciplinary research projects, disseminating research through scholarly publications, mentoring graduate students, teaching undergraduate and graduate courses, and being involved in service to the department and the profession. Excellent communication skills and a high level of personal motivation are required. Candidates will be considered at the Assistant, Associate, and Full Professor levels. Applicants at the Associate and Full Professor levels must have active, nationally or internationally recognized research programs.
Qualifications
The successful candidate must be professionally trained in materials science and engineering or a closely related field and hold a Ph.D. from an accredited institution at the time of employment. The candidate selected for this position must be able to meet eligibility requirements to work in the United States at the time the appointment is scheduled to begin and continue working legally for the proposed term of employment.
Review of applications will begin on Aug 10, 2026, and continue until a successful candidate has been identified. Applicants should combine into one document and upload a cover letter and curriculum vitae under the "Resume Upload" section (maximum file size: 5MB). All other documents should be uploaded under "Additional Documents." This includes a (1) concise statement of research vision, (2) a concise statement of teaching philosophy, (3) transcripts (can be unofficial), and (4) names, addresses, telephone numbers, and email addresses of three references. Submission of teaching portfolio and evaluations is optional but encouraged. (12MB maximum).
Minimum Knowledge, Skills, and Abilities
NA
Contract Type
Continuing
Why Work at Auburn?
  • Life-Changing Impact: Our work changes lives through research, instruction, and outreach, making a lasting impact on our students, our communities, and the world.
  • Culture of Excellence:We are committed to leveraging our strengths, resources, collaboration, and innovation as a top employer in higher education.
  • We're Here for You:Auburn offers generous benefits, educational opportunities, and a culture of support and work/life balance.
  • Sweet Home Alabama:The Auburn/Opelika area offers southern charm, vibrant downtown scenes, top-ranked schools, and easy access to Atlanta, Birmingham, and the Gulf of Mexico beaches.
  • A Place for Everyone: Auburn is committed to fostering an environment where all faculty, staff, and students are welcomed, valued, respected, and engaged.

Ready to lead and shape the future of higher education? Apply today! War Eagle!
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