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Computational Material Science Jobs (NOW HIRING)

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site +1

$90K - $140K/yr

Overview We look for computational materials scientists excited about bridging the gap between ... science to help us develop a software framework for designing and discovering new advanced ...

Kaiser Aluminum

Metallurgical Engineer

Spokane, WA · On-site

$85K - $150K/yr

MS degree in Data Science, or Computational Material Science, or Statistics, or Material Science or Mechanical Engineering is required. A PhD is preferred. * Excellent experience in statistical ...

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How much do computational material science jobs pay per year?

As of Jun 10, 2026, the average yearly pay for computational material science in the United States is $77,385.00, according to ZipRecruiter salary data. Most workers in this role earn between $42,000.00 and $101,000.00 per year, depending on experience, location, and employer.

What is a Computational Material Science job?

A Computational Material Science job involves using computer simulations, modeling techniques, and data analysis to study and predict the properties of materials. Professionals in this field leverage methods like density functional theory (DFT), molecular dynamics, and machine learning to design new materials and optimize existing ones for various applications, including electronics, energy, and manufacturing. They often work in academia, research institutions, or industries such as aerospace, semiconductors, and pharmaceuticals. The role requires expertise in materials science, physics, chemistry, and programming, typically using tools like Python, MATLAB, or specialized simulation software.

What are the key skills and qualifications needed to thrive in the Computational Material Science position, and why are they important?

To thrive in Computational Material Science, you need a strong background in materials science, physics, and computational modeling, usually supported by an advanced degree such as a Master's or Ph.D. Proficiency with simulation software (like VASP, LAMMPS, or Quantum ESPRESSO), high-performance computing environments, and programming languages like Python or C++ is often required. Strong analytical thinking, problem-solving ability, and effective teamwork and communication skills help set professionals apart in this field. These skills are essential for designing, analyzing, and optimizing materials using computational techniques, often as part of collaborative, interdisciplinary research teams.

What are some typical daily tasks for a Computational Material Science professional?

Daily tasks for a Computational Material Science professional often include developing and running computer simulations to investigate material properties, analyzing data from these simulations, and collaborating with experimental scientists to compare computational predictions with laboratory results. You may spend significant time programming, writing reports, and presenting your findings to colleagues or industry partners. You'll typically work within a multidisciplinary team, where clear communication and project coordination are crucial. The balance between independent computational work and collaborative meetings helps ensure innovative solutions to complex material challenges.

More about Computational Material Science jobs
What cities are hiring for Computational Material Science jobs? Cities with the most Computational Material Science job openings:
What are the most commonly searched types of Computational Material Science jobs? The most popular types of Computational Material Science jobs are:
What states have the most Computational Material Science jobs? States with the most job openings for Computational Material Science jobs include:
What job categories do people searching Computational Material Science jobs look for? The top searched job categories for Computational Material Science jobs are:
Computational Material Science jobs near you
Infographic showing various Computational Material Science job openings in the United States as of June 2026, with employment types broken down into 74% Full Time, 24% Part Time, and 2% Contract. Highlights an 76% Physical, 1% Hybrid, and 23% Remote job distribution, with an average salary of $77,385 per year, or $37.2 per hour.
RESEARCH ENGINEER - SR. RESEARCH ENGINEER - Computational Materials Integrity

RESEARCH ENGINEER - SR. RESEARCH ENGINEER - Computational Materials Integrity

Southwest Research Institute - Fulltime

San Antonio, TX

$86K - $175K/yr

Full-time

Posted 6 days ago

Southwest Research Institute rating

8.8

Company rating: 8.8 out of 10

Based on 21 frontline employees who took The Breakroom Quiz

6th of 57 rated research

Job description

Who We Are: We develop and apply advanced computational methods to assess the performance of a variety of engineering materials that are used in a wide range of systems with a particular focus on estimating the life and reliability of high-consequence engineering applications. We seek candidates skilled in analytical and numerical methods that support software development for fatigue crack growth and fracture of metallic materials under sustained and cyclic loading. Most relevant technical areas include damage tolerance, computational mechanics, and computational material science.

Objectives of this Role: Join our team to perform fundamental and applied research through the development of advanced fatigue crack growth for material and structural integrity assessments. Help manage our established software codebase and provide guidance on the technical solutions to solve problems related to practical fatigue crack growth, fracture, and structural integrity assessments. Work within a large team and a software operations framework to write integrate, compile, text and debug source code to support long-term, commercial software programs.

Apply principles in advanced continuum mechanics, numerical methods, materials science, and applied mathematics to solve unique problems using the modern Fortran programming language. Build and apply skills to support contract research programs, develop new technology areas, and interact with government and commercial clients. Daily and Monthly Responsibilities: Provide technical leadership toward the ongoing development and enhancement of fatigue crack growth software programs: NASGRO® and DARWIN®.

Coordinate accuracy, precision, and consistency test campaigns of predictions implemented within high-criticality commercial software. Drive the development of new practical methods to perform damage tolerance assessments. Champion innovations focused on reducing memory footprint, optimizing computational efficiency, and streamlining the analysis of large datasets.

Oversee the resolution of user-reported issues by identifying root causes and implement fixes in a timely manner. Interact with a larger development team to coordinate issue resolution within a large, interconnected, and legacy codebase. Collaborate with clients, stakeholders, and development teams to align the software’s documentation, usage, and evolution with industry demands.

Lead reports and papers on new technical solutions. Lead tasks and projects to completion, ensuring they are delivered within scope, budget, and schedule constraints. Drive improvement initiatives to optimize software development and execution.

Requirements: Requires a Masters or a PhD in Mechanical Engineering, Materials Science, Structural Engineering, Computational Mechanics, Theoretical and Applied Mechanics, Geomechanics, or similar engineering degree. 1 year related work experience required with a Masters, 0 years required with a PhD. 0-5 years: Experience and/or training in fracture mechanics, fatigue crack growth assessment, continuum mechanics, materials science, applied mechanics, applied mathematics, and mechanical behavior of engineering metals.

0-5 years: Experience and/or training in software development processes for scientific computing, including version control, optimization, software verification, relevant programming languages, and programming assisted by ML/AI tools. 0-5 years: Experience in stress-intensity factor solutions, weight function methods, fatigue crack growth algorithms, time-dependent crack growth, small-crack growth mechanisms, threshold, shakedown, rainflow, environmental fatigue, and multi-point computational fracture mechanics. 0-5 years: Experience in customer issue resolution, supporting for legacy code and application programming interfaces, and using ML/AI tools to streamline software development, sustainment, documentation, and verification.

A valid/clear driver's license is required. Salary Range: $86,278 - $175,469

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