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Remote Computational Materials Science Jobs (NOW HIRING)

SES

Computational Materials Scientist

Woburn, MA · On-site +1

$180K - $200K/yr

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 ...

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 ...

SES

Technical Product Manager

Woburn, MA · On-site +1

$200K - $225K/yr

This role requires deep literacy in computational materials science and AI4Science to coordinate strategy across our research, engineering, and materials teams. As the Technical Product Manager, you ...

The Pennsylvania State University

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... Working knowledge of computational and analytical corrosion research methods * Comfortable working ...

The Pennsylvania State University

Approval of remote and hybrid work is not guaranteed regardless of work location.For additional ... Perform experimental and computational studies of materials, including design of experimental ...

Mercor

STEM Expert - Fully Remote

New York, NY · Remote

$70 - $100/hr

... Materials Science , or another STEM discipline. * 3+ years of research, academic, or industry ... Demonstrated technical expertise in at least one domain: computational modeling, laboratory methods ...

Mercor

STEM Expert - Fully Remote

New York, NY · Remote

$70 - $100/hr

... Materials Science , or another STEM discipline. * 3+ years of research, academic, or industry ... Demonstrated technical expertise in at least one domain: computational modeling, laboratory methods ...

Mercor

Data Science Expert - Fully Remote

New York, NY · Remote

$70 - $100/hr

... Materials Science , or other STEM background. * Demonstrated technical expertise in programming ... computational methods. * Ability to commit to 40 hours per week during weekdays for the duration of ...

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All JobsRemote Computational Materials Science Jobs

Remote Computational Materials Science information

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$56.5K

$83.1K

$98K

How much do remote computational materials science jobs pay per year?

As of Jun 17, 2026, the average yearly pay for remote computational materials science in the United States is $83,109.00, according to ZipRecruiter salary data. Most workers in this role earn between $77,500.00 and $93,500.00 per year, depending on experience, location, and employer.

What is remote computational materials science?

Remote computational materials science involves using computer simulations and modeling techniques to study and design materials, all while working from a remote location rather than in a physical lab. Researchers in this field use software tools to predict the properties and behaviors of materials at the atomic or molecular level, which can accelerate the discovery of new materials for applications in energy, electronics, and manufacturing. Remote computational materials scientists commonly collaborate with teams online, analyze data, and run simulations on high-performance computing systems accessible via the internet.

What are some common challenges faced when working remotely in computational materials science, and how can they be addressed?

Remote computational materials scientists often encounter challenges such as coordinating with interdisciplinary teams across different time zones and ensuring efficient access to high-performance computing resources. Clear communication through regular virtual meetings and collaborative platforms helps maintain project alignment. Additionally, staying organized with version control systems and thorough documentation is essential for seamless teamwork. Being proactive about addressing technical issues, such as software compatibility or data transfer limitations, also ensures productivity.

What is the difference between Remote Computational Materials Science vs Remote Materials Data Analyst?

AspectRemote Computational Materials ScienceRemote Materials Data Analyst
Required CredentialsAdvanced degrees in materials science, physics, or chemistry; experience with computational modelingBachelor's or master's in data science, materials science, or related fields; proficiency in data analysis tools
Work EnvironmentResearch-focused, using simulation software and programmingData processing, visualization, and reporting using analytics platforms
Employer & Industry UsageResearch institutions, R&D departments in manufacturing, tech companiesManufacturers, consulting firms, research labs analyzing material data

Remote Computational Materials Science involves simulating and modeling materials at the atomic or molecular level, requiring programming and scientific expertise. In contrast, Remote Materials Data Analysts focus on analyzing existing material data to inform decisions, emphasizing data skills. Both roles are essential in materials research but differ in their core activities and skill sets.

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, often with a PhD or advanced degree, and expertise in computational modeling. Familiarity with simulation software like VASP, Quantum ESPRESSO, or LAMMPS, as well as proficiency in programming languages such as Python or Fortran, is typically required. Excellent problem-solving skills, self-motivation, and clear written communication are crucial for collaborating remotely and conveying complex results. These competencies enable effective independent research, accurate data analysis, and seamless teamwork in a virtual scientific environment.
More about Remote Computational Materials Science jobs
What cities are hiring for Remote Computational Materials Science jobs? Cities with the most Remote 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:
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What job categories do people searching Remote Computational Materials Science jobs look for? The top searched job categories for Remote Computational Materials Science jobs are:
Remote Computational Materials Science jobs near you
Infographic showing various Remote Computational Materials Science job openings in the United States as of June 2026, with employment types broken down into 6% Internship, 55% Full Time, 33% Part Time, and 6% Contract. Highlights an 100% Remote job distribution, with an average salary of $83,109 per year, or $40 per hour.
Computational Materials Scientist

Computational Materials Scientist

SES

Woburn, MA • On-site, Remote

$180K - $200K/yr

Full-time

Medical

Posted 14 days ago

Job description

SES AI Corp. (NYSE: SES) is dedicated to accelerating the world's energy transition through groundbreaking material discovery and advanced battery management. We are at the forefront of revolutionizing battery creation, pioneering the integration of cutting-edge machine learning into our research and development. Our AI-enhanced, high-energy-density and high-power-density Li-Metal and Li-ion batteries are unique; they are the first in the world to utilize electrolyte materials discovered by AI. This powerful combination of "AI for science" and material engineering enables batteries that can be used across various applications, including transportation (land and air), energy storage, robotics, and drones.
To learn more about us, please visit: www.ses.ai
What We Offer:
  • A highly competitive salary and robust benefits package, including comprehensive health coverage and an attractive equity/stock options program within our NYSE-listed company.
  • The opportunity to contribute directly to a meaningful scientific project-accelerating the global energy transition-with a clear and broad public impact.
  • Work in a dynamic, collaborative, and innovative environment at the intersection of AI and material science, driving the next generation of battery technology.
  • Significant opportunities for professional growth and career development as you work alongside leading experts in AI, R&D, and engineering.
  • Access to state-of-the-art facilities and proprietary technologies are used to discover and deploy AI-enhanced battery solutions.

What we Need:
The SES AI Prometheus team isseeking an exceptional Computational Materials Scientist to combine physics-based simulation (DFT, MD, quantum modeling) with AI-assisted material prediction to generate high-quality training data and accelerate materials discovery. This role is crucial for advancing our understanding of electrochemical energy materials at the atomic level. As a Computational Materials Scientist, you will be a core data-driven modeler responsible for executing and automating complex simulations.
Essential Duties and Responsibilities:
  • Atomistic Modeling & Simulation
  • Conduct and oversee DFT (Density Functional Theory), MD (Molecular Dynamics), and QM (Quantum Mechanics) simulations of battery components, including electrolytes, coatings, and electrodes.
  • Develop and refine ML-enhanced force fields and surrogate models to accelerate simulation time scales and enable multi-scale simulation efforts.
  • Apply expertise in atomistic simulation and quantum modeling to solve key challenges in electrochemical energy materials (e.g., batteries/fuel cells).
  • AI Data Generation & Prediction
  • Generate high-quality, structured simulation data to serve as training sets for AI property prediction models and material screening modules.
  • Contribute to the development of battery domain LLM features and advanced property-prediction models.
  • Automate complex simulation workflows using strong coding practices to enhance efficiency and scalability.
  • Collaboration & Tooling
  • Collaborate with experimental teams, leveraging a hybrid computational + experimental literacy to validate models and drive design iteration.
  • Utilize advanced simulation tools (VASP, Quantum Espresso) and data science libraries (TensorFlow, Pandas) to manage and analyze large datasets.

Education and/or Experience:
  • Education: Ph.D. in Mechanical Engineering, Materials Science, Chemical Engineering, or a closely related computational/physics field.
  • Core Simulation Expertise: Deep and extensive experience in atomistic simulation and quantum modeling, including proficiency with key QM/DFT tools (VASP, Quantum Espresso) and MD simulations.
  • Domain Focus: Strong background in electrochemical energy materials and extensive computational work focused on batteries/fuel cells.
  • Coding Proficiency: Strong coding skills in Python (along with related libraries like Pandas and TensorFlow) for simulation workflow automation and data analysis.
  • ML Application: Experience in developing or utilizing ML-enhanced force fields and surrogate models for materials prediction., or equivalent practical experience.

Preferred Qualifications:
  • LLM Development: Experience in developing battery domain LLM features or property-prediction models.
  • Hybrid Skillset: Demonstrated experience working in a hybrid computational + experimental environment.
  • Tooling Diversity: Familiarity with additional data analysis tools like R, SQL, MATLAB, and time-series forecasting libraries like Prophet.
  • Target Background: Previous experience at national laboratories, XtalPi, Entalpic, or deep battery modeling groups.

The salary range for this position as required under applicable pay transparency laws.
Salary Range
$180,000-$200,000 USD

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