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Density Functional Theory Jobs in California (NOW HIRING)

Computational Senior Engineer

Fremont, CA · On-site

$119K - $261K/yr

... density functional theory (DFT) calculations to support development of next-generation simulation capabilities Utilize computational chemistry learning to support process engineering research ...

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Density Functional Theory (DFT) * Molecular Dynamics (MD) * Kinetic Monte Carlo (kMC) * Phase-field and Monte Carlo simulations * Build AI surrogate models to accelerate simulation-driven research.

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Density Functional Theory information

See California salary details

$13

$28

$100

How much do density functional theory jobs pay per hour?

As of Sep 1, 2026, the average hourly pay for density functional theory in California is $28.47, according to ZipRecruiter salary data. Most workers in this role earn between $20.38 and $28.46 per hour, depending on experience, location, and employer.

What is density functional theory?

A Density Functional Theory (DFT) job typically involves using quantum mechanical modeling to study the electronic structure of materials, molecules, or surfaces. Scientists and researchers working in DFT apply computational techniques to predict material properties, chemical reactions, and electronic behaviors. These jobs are common in academia, national labs, and industries such as semiconductors, pharmaceuticals, and energy. Roles often require expertise in physics, chemistry, or materials science, along with proficiency in computational tools like VASP, Quantum ESPRESSO, or Gaussian.

What does someone working with density functional theory do?

Professionals specializing in Density Functional Theory commonly spend their days conducting quantum mechanical simulations, running and optimizing DFT calculations, and analyzing large datasets to understand material properties or chemical processes. They often develop or refine computational models, write and debug code, and document their findings in detailed reports or scientific publications. Collaboration is key—you'll frequently interact with experimental scientists, other theorists, and sometimes industry stakeholders to interpret results and guide research directions. This role is intellectually stimulating and highly iterative, with ample opportunities to contribute to cutting-edge discoveries in materials science, chemistry, and nanotechnology.

What are the key skills and qualifications needed to thrive in density functional theory?

To thrive in a Density Functional Theory (DFT) research or specialist role, a strong background in physics, chemistry, materials science, or a related field—often supported by a master's or PhD—is essential. Experience with quantum chemistry software (like VASP, Gaussian, or Quantum ESPRESSO), programming languages (such as Python or Fortran), and familiarity with high-performance computing environments are typically required. Strong analytical skills, meticulous attention to detail, and effective communication abilities set top candidates apart. These competencies are vital for accurately modeling complex systems, interpreting computational results, and collaborating on interdisciplinary scientific projects.

What are the most commonly searched types of Density Functional Theory jobs in California?

The most popular types of Density Functional Theory jobs in California are:

What are popular job titles related to Density Functional Theory jobs in California?

For Density Functional Theory jobs in California, the most frequently searched job titles are:

What job categories do people searching Density Functional Theory jobs in California look for?

The top searched job categories for Density Functional Theory jobs in California are:

What cities in California are hiring for Density Functional Theory jobs?

Cities in California with the most Density Functional Theory job openings:

Infographic showing various Density Functional Theory job openings in California as of August 2026, with employment types broken down into 1% As Needed, 87% Full Time, 9% Part Time, and 3% Contract. Highlights an 86% Physical, 4% Hybrid, and 10% Remote job distribution, with an average salary of $59,212 per year, or $28.5 per hour.

Computational Scientist, Quantum Energy Systems

Pronoia

Torrance, CA • On-site

$120 - $170/hr

Other

Medical, PTO

This job post has expired 1 day ago. Applications are no longer accepted.


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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