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Computational Materials Dft Jobs (NOW HIRING)

SES

Technical Product Manager

Woburn, MA · On-site

$200K - $225K/yr

Deep technical literacy in Computational Chemistry, including proficiency in DFT and MD simulations for materials analysis. * Product Management Experience: Proven experience as a Science-literate ...

Kanak Elite Services Inc

AI Engineer

Santa Clara, CA · On-site

Knowledge of computational materials methods (DFT, MD, phase-field modeling). Additional Skills: * Familiarity with MLOps, HPC environments, and cloud deployment. * Understanding of thermodynamics ...

Lam Research

Computational Senior Engineer

Fremont, CA · On-site

$119K - $261K/yr

D in Computational Chemistry, Chemistry, Chemical Engineering or Materials Science (or equivalent) At least 3-5 years of industry experience, post Ph.D. Experience using DFT software (e.g. Gaussian ...

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Computational Materials Dft information

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How much do computational materials dft jobs pay per hour?

As of Sep 3, 2026, the average hourly pay for computational materials dft in the United States is $16.76, according to ZipRecruiter salary data. Most workers in this role earn between $13.22 and $17.55 per hour, depending on experience, location, and employer.

What is a computational materials DFT job?

Computational Materials DFT jobs involve using Density Functional Theory (DFT) and related computational methods to study and predict the properties of materials at the atomic and molecular level. Scientists and engineers in these roles use computer simulations to understand material behavior, design new materials, and optimize existing ones for applications in fields such as electronics, energy, and nanotechnology. These jobs typically require strong backgrounds in materials science, physics, chemistry, and programming, as well as experience with specialized simulation software.

What are the key skills and qualifications needed to thrive as a computational materials DFT scientist?

To thrive as a Computational Materials DFT Scientist, you need a solid background in physics, chemistry, or materials science, with advanced knowledge of quantum mechanics and DFT principles, often supported by a graduate degree. Experience with computational tools like VASP, Quantum ESPRESSO, or CASTEP, as well as proficiency in programming languages such as Python or Fortran, is typically required. Strong analytical thinking, problem-solving abilities, and effective communication skills help you interpret results and collaborate with interdisciplinary teams. Mastery of these skills enables accurate simulations, insightful data analysis, and impactful contributions to materials research and development.

What are some common challenges faced by computational materials DFT researchers when collaborating with experimental teams?

Computational Materials DFT researchers often collaborate closely with experimental scientists to validate and interpret simulation results. A common challenge is effectively communicating complex theoretical concepts and computational limitations to non-specialists, which is crucial for aligning expectations and designing complementary experiments. Additionally, discrepancies between simulated and experimental data can arise due to idealized computational models or limitations in available material parameters, requiring proactive troubleshooting and iterative collaboration. Building strong interdisciplinary relationships and maintaining open channels of communication are key to overcoming these challenges.

What is the difference between Computational Materials Dft vs Computational Materials Scientist?

AspectComputational Materials DftComputational Materials Scientist
CredentialsTypically requires a PhD in materials science, physics, or chemistry with expertise in DFT methodsRequires a PhD or master's in similar fields with broader computational modeling skills
Work EnvironmentPrimarily research-focused, often in academia or R&D labs, using DFT softwareResearch and development across industries, applying various computational techniques including DFT
Industry UsageUsed for detailed electronic structure calculations of materialsApplied for material design, simulation, and analysis across multiple sectors

Computational Materials Dft specialists focus on electronic structure calculations using DFT, while Computational Materials Scientists have broader roles involving multiple computational methods for material research and development.

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Computational Materials Dft jobs near you
Infographic showing various Computational Materials Dft job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 82% Full Time, 13% Part Time, 1% Temporary, 2% Contract, and 1% Nights. Highlights an 92% Physical, 2% Hybrid, and 6% Remote job distribution, with an average salary of $34,865 per year, or $16.8 per hour.

Technical Product Manager

SES

Woburn, MA • On-site

$200K - $225K/yr

Full-time

Medical

Re-posted 9 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 is seeking an exceptional Technical Product Manager to serve as the product leader who translates complex scientific and AI research into actionable roadmap deliverables. 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 will be the driving force behind the product lifecycle for our AI-driven materials discovery platform.
Essential Duties and Responsibilities:
  • Product Strategy & Roadmap Management
  • Define the product vision and manage the roadmap for our AI for materials software, ensuring alignment across the entire organization.
  • Translate complex scientific research and user needs into clear, customer-driven requirements for the engineering and research teams.
  • Oversee AI for materials software and research coordination, managing cross-functional deliverables and maintaining feature velocity.
  • Scientific & Research Alignment
  • Bridge scientific research and engineering by defining how scientific findings (e.g., from DFT/MD simulations) are integrated into a scalable and usable platform.
  • Identify opportunities for leveraging ML force-field models and AI molecular modeling to accelerate battery electrolyte design and performance.
  • Ensure platform usability and scaling by defining requirements that serve both the deep research community and material production teams.
  • Cross-Functional Leadership
  • Drive cross-functional alignment and execution across research (Computational Chemistry), core Engineering, and experimental Materials teams within a fast-paced AI and battery/materials organization.

Education and/or Experience:
  • Education: Ph.D. in Computational Chemistry, Computational Materials Science, or a related quantitative field. Emphasis on Computational electrolyte design or interfacial chemistry is highly desirable.
  • Domain Literacy: Deep technical literacy in Computational Chemistry, including proficiency in DFT and MD simulations for materials analysis.
  • Product Management Experience: Proven experience as a Science-literate Product Manager overseeing the full software product lifecycle, specifically in the AI4Science or Materials Informatics space.
  • Cross-Functional Management: Demonstrated experience defining and managing complex roadmaps and coordinating across research, engineering, and materials organizations.
  • AI/ML Familiarity: Experience working with ML force-field models and other AI molecular modeling techniques.

Preferred Qualifications:
  • Industry Experience: Previous experience in relevant high-tech organizations such as Cusp.ai, XtalPi, scientific computing startups, or established AI4Science product teams.
  • Broader Domain Application: Familiarity with computational tools and modeling related to other material science domains, such as aerospace thermal-barrier coatings or thermodynamics modeling in solar-cell materials.
  • Scaling Scientific Tools: A track record of successfully bridging scientific research outputs with platform usability and scaling in a production environment.

The salary range for this position as required under applicable pay transparency laws.
Salary Range
$200,000-$225,000 USD

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