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Computational Materials Engineer Jobs in Washington

AGR LLC

Geotechnical Engineer

Mclean, VA · On-site

Strong computational and data analysis skills, including experience with MATLAB, Python, R, or ... and materials engineering. * Grow your career through hands‑on research, publications, and ...

AGR LLC

Geotechnical Engineer

Mclean, VA · On-site

Strong computational and data analysis skills, including experience with MATLAB, Python, R, or ... and materials engineering. * Grow your career through hands‑on research, publications, and ...

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Computational Materials Engineer information

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 in Washington are hiring for Computational Materials Engineer jobs?

Cities in Washington with the most Computational Materials Engineer job openings:

Infographic showing various Computational Materials Engineer job openings in Washington as of August 2026, with employment types broken down into 80% Full Time, 14% Part Time, 1% Temporary, 4% Contract, and 1% Nights. Highlights an 93% Physical, 1% Hybrid, and 6% Remote job distribution.

Scientific Software Engineer / Computational Physicist

Springfield, VA • On-site

Aqua IT
See more jobs at Aqua ITexternal

Other

Posted 7 days ago

Job description

All Jobs Scientific Software Engineer / Computational Physicist

Scientific Software Engineer / Computational Physicist

We are seeking a Scientific Software Engineer / Computational Physicist to support a research and development program focused on remote sensing, physics-based modeling, and scientific algorithm development.

This role requires a strong background in scientific programming and applied physics. An initial focus will be evaluating an existing scientific codebase originally developed in MATLAB and later converted to Python. The engineer will assess both the software implementation and underlying physics to determine whether models and calculations accurately represent the intended physical phenomena.

The ideal candidate can independently review scientific code, understand the governing physics and mathematical models, identify questionable assumptions or implementations, and develop or improve computational approaches to support ongoing R&D efforts.

Key Responsibilities

  • Review, debug, validate, and improve scientific Python code, including functionality converted from legacy MATLAB.
  • Evaluate whether computational models accurately represent the intended physics, mathematical assumptions, and governing equations.
  • Identify errors or inconsistencies in scientific models, numerical implementations, and MATLAB-to-Python conversions.
  • Work with physics-based models involving areas such as heat transfer, fluid dynamics, radiative processes, and material properties.
  • Develop and evaluate algorithms supporting remote sensing, infrared sensing, spectral analysis, and related R&D efforts.
  • Apply numerical modeling and optimization techniques to scientific and engineering problems.
  • Translate physical principles, mathematical models, and scientific research into computational implementations.
  • Develop validation approaches and evaluate model and algorithm performance, sensitivity, uncertainty, and limitations.
  • Document and communicate technical findings, methodologies, assumptions, and recommendations.

Required Qualifications

  • B.S. in a STEM discipline with 10+ years of relevant experience, or M.S. in STEM with 6+ years of relevant experience.
  • Strong scientific programming experience in Python.
  • Experience with remote sensing.
  • Experience with numerical modeling, scientific computing, simulation, or scientific algorithm development.
  • Strong background in physics, engineering, applied mathematics, or a related scientific discipline.
  • Demonstrated ability to evaluate scientific software and the underlying physical or mathematical models.
  • Knowledge of optimization techniques, such as particle swarm optimization.
  • Active TS/SCI with willingness to obtain a CI Poly.

Preferred Qualifications

  • Experience with MATLAB, particularly scientific or physics-based applications.
  • Experience with infrared remote sensing and/or spectral analysis.
  • Knowledge of flight dynamics.
  • Experience with GitLab and Git CLI.
  • Experience reviewing, comparing, converting, or validating MATLAB and Python scientific implementations.
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