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Computational Material Science Jobs in California

Amat

AI Materials Research Engineer

Santa Clara, CA · On-site

$170K - $234K/yr

MS/PhD in Materials Science, Computational Materials Science, Physics, Chemical Engineering, or related field. * 2-5 years of experience in Computational Materials Science, Materials Informatics ...

Leidos

Computational Imaging Scientist

San Diego, CA · On-site

You will develop and apply computational imaging models that connect optical design, image ... Basic Qualifications * BS degree in Physics, Materials Science, Optics, or a related field with 8+ ...

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Computational Material Science information

What is a computational material science?

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 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.

What are the key skills and qualifications needed to thrive in computational material science?

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 jobs can I get with a computational material science degree?

A computational material science degree prepares individuals for roles such as materials scientist, computational researcher, or simulation engineer. These jobs often involve using modeling software, programming skills, and knowledge of materials properties to develop new materials or improve existing ones in industries like aerospace, electronics, and energy. Additional certifications or experience with tools like MATLAB, Python, or molecular dynamics software can enhance job prospects.

What are the most commonly searched types of Computational Material Science jobs in California?

The most popular types of Computational Material Science jobs in California are:

What are popular job titles related to Computational Material Science jobs in California?

For Computational Material Science jobs in California, the most frequently searched job titles are:

What job categories do people searching Computational Material Science jobs in California look for?

The top searched job categories for Computational Material Science jobs in California are:

What cities in California are hiring for Computational Material Science jobs?

Cities in California with the most Computational Material Science job openings:

Computational Material Science jobs near you
Infographic showing various Computational Material Science job openings in California as of August 2026, with employment types broken down into 1% As Needed, 77% Full Time, 20% Part Time, and 2% Contract. Highlights an 76% Physical, 3% Hybrid, and 21% Remote job distribution.

Computational Scientist, Quantum Energy Systems

Praxis, Inc.

Torrance, CA • On-site

$120 - $190/hr

Other

Medical, PTO

Posted 18 days ago

Job description

Company Overview

Pronoia Energy is a pioneering deep tech startup at the forefront of quantum energy storage innovation. As a lean, mission-driven team, we thrive on rapid prototyping, cross-disciplinary collaboration and solving complex engineering challenges to turn quantum physics into practical, scalable products. Our current focus is on developing our groundbreaking room-temperature macroscopic quantum energy storage technology that promises orders of magnitude greater energy density, faster charging, and higher power delivery as well as being cheaper and safer compared to existing battery technology. This represents a paradigm shift in energy storage with applications spanning consumer electronics, electric vehicles, renewable grids, and beyond.

Role Summary

To meet our ambitious goals we are hiring a Computational Scientist to let us test ideas before we build them, dramatically accelerating our progress. This is a foundational role in a high-stakes, high-reward startup environment, and because our materials function is still taking shape, you will help define how Pronoia does simulation. In this role you will simulate how our materials behave at the atomic and molecular scale, using methods such as density functional theory, molecular dynamics, and finite-element modeling. Because our entire strategy depends on running the experimental loop faster than anyone else, every experiment your simulations replace or guide is days or weeks saved. You will work closely with our experimental physicists and chemists, turning simulation into real experimental decisions and validating your models against measured reality. This role is onsite in Torrance, California.

Key Responsibilities
  • Build and run atomic- and molecular-scale simulations of our materials and candidate structures.
  • Connect simulation results to real experimental decisions, and validate models against measured data.
  • Establish the tools, methods, and standards for simulation across the company.
  • Collaborate tightly with the experimental teams who generate ground-truth data.
  • Provide data-driven insight that informs each design iteration.
Required Qualifications
  • PhD-level depth in computational materials science, condensed-matter physics, or computational chemistry.
  • Strong production coding in Python or C++ and fluency with real simulation packages.
  • A track record of connecting simulation to actual experimental outcomes, not only publications.
  • Comfort defining a function from scratch and excitement about the quantum-materials frontier.
  • A self-starter who thrives amid ambiguity and rapid iteration.
Preferred Qualifications
  • Experience simulating battery materials, electrodes, or quantum materials.
  • A record of turning simulations into decisions that changed an experiment.
  • Familiarity with high-performance and parallel computing for large simulations.
  • Prior work in deep tech R&D alongside interdisciplinary teams.
What We Offer
  • Chance to solve one of the world's biggest engineering challenges and pioneer quantum energy storage.
  • Competitive salary, equity in a transformative startup, and performance-based incentives.
  • Access to cutting-edge labs, tools, and resources in a flexible, collaborative work environment.
  • Comprehensive benefits: health insurance, unlimited PTO, professional development stipend, and relocation assistance if needed.
  • A culture of innovation where your work will accelerate our path to market impact.
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