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Director Computational Materials Science Jobs (NOW HIRING)

Entegris, Inc.

$67K - $92K/yr

## Senior Scientist, Computational Materials SolutionsApplylocations: Remote, PAtime type: Full ... This role focuses on accelerating innovation by combining computational science, machine learning ...

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 ...

NextGenEnergyJobs

$180K - $200K/yr

The SES AI Prometheus team is seeking an exceptional Computational Materials Scientist to combine ... Utilize advanced simulation tools (VASP, Quantum Espresso) and data science libraries (TensorFlow ...

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 ...

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$11K

$116.2K

$176.5K

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

As of Sep 10, 2026, the average yearly pay for director computational materials science in the United States is $116,237.00, according to ZipRecruiter salary data. Most workers in this role earn between $77,500.00 and $151,000.00 per year, depending on experience, location, and employer.

What is a director computational materials science?

A Director of Computational Materials Science is a senior leadership role responsible for overseeing research and development efforts that use computational modeling and simulation to design and understand materials. They manage teams of scientists and engineers, set strategic research directions, and collaborate with other departments or external partners to drive innovation. This role often requires a strong background in materials science, physics, or chemistry, as well as expertise in computational methods and leadership experience. Directors in this field play a key role in advancing new materials for industries such as electronics, energy, and manufacturing.

What are the key skills and qualifications needed to thrive as a director computational materials science?

To excel as a Director of Computational Materials Science, you need advanced expertise in materials science, computational modeling, and a PhD or equivalent experience in a related discipline. Familiarity with simulation software (such as VASP or LAMMPS), high-performance computing systems, and relevant programming languages (like Python or Fortran) is typically required, along with a track record of published research. Exceptional leadership, project management, and interdisciplinary communication skills help drive innovation and guide diverse research teams. These abilities are crucial for successfully advancing materials discovery initiatives and achieving organizational research goals.

How does a director computational materials science typically collaborate with experimental teams and other departments?

Directors of Computational Materials Science frequently work alongside experimental scientists, engineers, and product development teams to ensure computational models align with real-world results. They facilitate regular meetings to discuss findings, guide research priorities, and integrate computational predictions into experimental design. Strong communication and interdisciplinary collaboration are essential, as directors must translate complex simulation results into actionable insights for non-specialist stakeholders. This cross-functional teamwork drives innovation and accelerates the development of new materials.

What is the difference between Director Computational Materials Science vs Computational Materials Scientist?

AspectDirector Computational Materials ScienceComputational Materials Scientist
CredentialsAdvanced degrees (Ph.D.), leadership experienceTypically Ph.D. or Master's in materials science, physics, or related fields
Work EnvironmentLeads teams, manages projects, strategic planningConducts research, develops models, performs simulations
Employer & Industry UsageResearch institutions, large corporations, R&D divisionsAcademic labs, industry R&D, tech companies
Search & Comparison IntentLeadership roles, strategic responsibilitiesTechnical expertise, hands-on research

The main difference is that the Director Computational Materials Science oversees research teams and strategic initiatives, while the Computational Materials Scientist focuses on conducting simulations and technical research. Both roles require strong technical credentials, but the director position emphasizes leadership and project management.

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Director Computational Materials Science jobs near you
Infographic showing various Director Computational Materials Science job openings in the United States as of September 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 $116,237 per year, or $55.9 per hour.

Computational Materials Scientist

Santa Fe, NM • On-site

Discovery 2 Scale
See more jobs at Discovery 2 Scaleexternal

Other

Medical, Retirement

Posted 23 days ago

Job description

Discovery 2 Scale is building the Autonomous Foundry for Advanced Materials—an end-to-end platform connecting materials design, autonomous experimentation, qualification, and scale-up to deliver production-ready materials faster and with less risk.

We are looking for a highly skilled computational materials scientist with strong CALPHAD and Thermo-Calc experience to help build the thermodynamic intelligence behind our platform.

What you’ll do
  • Develop CALPHAD and Thermo-Calc workflows for alloy design and high-throughput screening.
  • Model phase stability, solidification, segregation, and phase transformations.
  • Perform Scheil and kinetic simulations to evaluate manufacturability and processing windows.
  • Develop models for weldability, heat-affected-zone behavior, and thick-section producibility.
  • Build automated Python and Thermo-Calc pipelines for large composition and processing spaces.
  • Integrate thermodynamic predictions with AI/ML models and experimental data to guide alloy design.
Required qualifications
  • M.S. or Ph.D. in Materials Science, Metallurgy, Computational Materials Science, or a related field.
  • Hands-on experience with Thermo-Calc and CALPHAD.
  • Experience modeling multicomponent metallic alloy systems.
  • Experience with equilibrium phase and Scheil solidification calculations.
  • Strong understanding of physical metallurgy, thermodynamics, solidification, and phase transformations.
  • Experience with scientific programming or workflow automation using Python or similar tools.
  • Ability to connect computational predictions with real materials processing and experimental observations, and work independently in a fast-paced startup environment.
Preferred qualifications
  • Experience with TC-Python, DICTRA, TC-PRISMA, or related thermodynamic and kinetic modeling tools.
  • Experience with steels, nickel-based alloys, titanium or refractory alloys, or multi-principal-element alloys.
  • Experience with welding metallurgy, HAZ transformations, solidification, segregation, or casting.
  • Experience integrating CALPHAD predictions with SEM, EDS, EBSD, or other experimental data.
  • Experience combining CALPHAD with machine learning, materials informatics, or high-throughput alloy design.
Why join D2S?
  • Build cutting-edge autonomous materials discovery technology.
  • Work alongside world-class scientists and engineers.
  • High level of ownership and technical freedom.
  • Opportunity to help build a company from the ground up.
  • Competitive salary, comprehensive health benefits, and a 401(k) with company match.
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