Computational Materials Scientist
Job in
Santa Fe, Santa Fe County, New Mexico, 87503, USA
Listed on 2026-08-13
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
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.
- 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.
- 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.
- 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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