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Computational Materials Scientist

Job in Santa Fe, Santa Fe County, New Mexico, 87503, USA
Listing for: Discovery 2 Scale
Full Time position
Listed on 2026-08-13
Job specializations:
  • Engineering
    Materials Engineering, Research Scientist, Process Engineer
  • Research/Development
    Research Scientist
Salary/Wage Range or Industry Benchmark: 110000 - 150000 USD Yearly USD 110000.00 150000.00 YEAR
Job Description & How to Apply Below

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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