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From Home Computational Materials Science Jobs (NOW HIRING)

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site +1

$90K - $140K/yr

... science to help us develop a software framework for designing and discovering new advanced ... Work From Home * Free Food & Snacks * Wellness Resources * Stock Option Plan Compensation * $90,000 ...

Mat3ra

Computational Materials Scientist

Walnut Creek, CA · On-site

$90K - $140K/yr

... science to help us develop a software framework for designing and discovering new advanced ... Work From Home * Free Food & Snacks * Wellness Resources * Stock Option Plan Compensation * $90,000 ...

SES

Computational Materials Scientist

Woburn, MA · On-site +1

This powerful combination of "AI for science" and material engineering enables batteries that can ... As a Computational Materials Scientist, you will be a core data-driven modeler responsible for ...

Alignerr

$75 - $90/hr

Background in computational materials science, density functional theory, or related modeling ... Fully remote and flexible -- set your own hours and work from anywhere * Freelance autonomy with ...

Alignerr

Background in computational materials science, density functional theory (DFT), or related simulation methods * Familiarity with materials databases or scientific literature databases * Experience ...

Amat

Computational Materials Scientist

Santa Clara, CA · On-site

$161K - $221K/yr

... for you at work, at home, or wherever you may go. Learn more about our benefits. Key ... Initiates innovative physics/science projects, which extend boundaries of system performance or ...

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$142.5K

$168.8K

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How much do from home computational materials science jobs pay per year?

As of May 28, 2026, the average yearly pay for from home 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 remote Computational Materials Scientist, and why are they important?

To thrive as a remote Computational Materials Scientist, you need a strong background in materials science, physics, or chemistry, typically supported by an advanced degree (MS or PhD) and expertise in computational modeling. Proficiency in programming languages such as Python or C++, experience with simulation software (e.g., VASP, LAMMPS), and familiarity with high-performance computing environments are essential. Strong problem-solving abilities, self-motivation, and effective communication skills help you collaborate virtually and manage independent research. These skills and qualities are crucial for conducting complex simulations, publishing research, and contributing to interdisciplinary teams in a remote work setting.

How do remote computational materials scientists typically collaborate with experimental teams and other researchers?

Remote computational materials scientists often work closely with experimentalists, data scientists, and other researchers through virtual meetings, shared cloud-based platforms, and collaborative tools like version control systems. Regular video conferences and clear documentation are essential for staying aligned on project goals and integrating computational findings with experimental results. While working from home offers flexibility, it also requires strong communication skills to ensure successful interdisciplinary collaboration and timely project delivery.

What is a 'From Home Computational Materials Science' job?

A 'From Home Computational Materials Science' job involves conducting research, simulations, and data analysis related to materials science using computer-based methods, all while working remotely. Professionals in this field use software to model the properties and behaviors of materials, predict new material structures, and optimize material performance for various applications. These roles often require a strong background in physics, chemistry, programming, and computational modeling, and they allow scientists and engineers to contribute to research projects without needing to be physically present in a laboratory or office setting.

What is the difference between From Home Computational Materials Science vs Computational Materials Engineer?

AspectFrom Home Computational Materials ScienceComputational Materials Engineer
CredentialsTypically requires a PhD or Master's in Materials Science, Physics, or related fieldsRequires a degree in Materials Science, Engineering, or related disciplines; often a Master's or PhD
Work EnvironmentPrimarily remote, using computer simulations and modeling softwareUsually in-office or hybrid, combining lab work and computer modeling
Industry UsageUsed in research, academia, and some R&D departmentsCommon in manufacturing, R&D, and product development sectors

From Home Computational Materials Science focuses on remote research and simulation work, while Computational Materials Engineer often involves hands-on engineering and on-site collaboration. Both roles require advanced degrees and involve modeling, but differ in work environment and application.

More about From Home Computational Materials Science jobs
What cities are hiring for From Home Computational Materials Science jobs? Cities with the most From Home 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 From Home Computational Materials Science jobs? States with the most job openings for From Home Computational Materials Science jobs include:
What job categories do people searching From Home Computational Materials Science jobs look for? The top searched job categories for From Home Computational Materials Science jobs are:
From Home Computational Materials Science jobs near you
Infographic showing various From Home Computational Materials Science job openings in the United States as of May 2026, with employment types broken down into 5% As Needed, 81% Full Time, 5% Temporary, and 9% Contract. Highlights an 66% Physical, 2% Hybrid, and 32% Remote job distribution, with an average salary of $168,844 per year, or $81.2 per hour.

Computational Materials Scientist

Mat3ra

Walnut Creek, CA • On-site, Remote

$90K - $140K/yr

Full-time

Medical, Dental, Vision, Life, Retirement, PTO

Posted 22 days ago

Job description

Overview

We look for computational materials scientists excited about bridging the gap between materials/chemistry, data science, and computer science to help us develop a software framework for designing and discovering new advanced materials and chemicals.

Work will focus on (1) the application of nanoscale modeling to large sets of materials, surfaces, and reaction pathways with minimal human input, (2) organizing the data produced by the models and experimental validation, (3) establishing artificial intelligence approaches using the data.

Successful candidates will continue into leadership roles as we grow.
This is a full-time permanent position.


Responsibilities
  • software development
  • materials modeling with AI/ML
  • product design and concept development
  • work closely with the engineering team, relay and explain complex concepts

Why Join
  • see the results of your creative work used directly by the world's leading enterprises
  • realize your ambitions and directly define how materials research is done in the future
  • work with top-tier human capital in research, engineering, and venture capital

Requirements

Scientific

  • excellent knowledge of chemistry/materials science (Ph.D. from a tier-1 lab)
  • prior work on advanced electronic structure methods (VASP, Quantum ESPRESSO, Gaussian, NWChem, Siesta, or similar)
  • prior experience with machine learning

Engineering

  • python (advanced)
  • Linux/RedHat/Bash (advanced)
  • MongoDB/JSON (intermediate)
  • message-passing interface / OpenMP (intermediate)
  • other (GPU, TPU) - willing to learn

Other

  • ability to learn and apply new concepts rapidly
  • extreme attention to details

Plus

  • familiarity with AWS EC2, Microsoft Azure
  • familiarity with SaltStack or similar

Benefits

Company Benefits Include

  • Health Care Plan (Medical, Dental & Vision)
  • Retirement Plan (401k, IRA)
  • Life Insurance (Basic, Voluntary & AD&D)
  • Paid Time Off (Vacation, Sick & Public Holidays)
  • Short Term & Long Term Disability
  • Training & Development
  • Work From Home
  • Free Food & Snacks
  • Wellness Resources
  • Stock Option Plan

Compensation

  • $90,000 - $140,000 salary range
  • 0.1 - 0.5% stock options

Apply