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Computational Materials Scientist
Job Description
Between $120k and
$165k
Per Year DOE (Depends on Experience) Computational Materials Scientist
Discovery 2 Scale
Occupation:
Materials Scientists
Location:
Santa Fe, NM - 87506
Job Type:
Regular, Full Time (30 Hours or More), Permanent Employment, Other, see job description Shift
Posted:
09/22/2026
Positions available: 2
Source:
New Mexico Jobs
Web Site:
New Mexico Jobs
Onsite /
Remote:
Work onsite all of the time
Updated:
09/24/2026
Expires:
10/30/2026
Job #: 962201
Job Requirements and Properties
Help for Job Requirements and Properties. Opens a new window. Work Onsite
Full Time Education
Doctorate Degree Experience
1 Month(s) Age
21 and up DL
Required Schedule
Full Time Job Type
Regular Duration
Permanent Employment Hours
40 Hours Per Week Public Transit
Available Benefits
Job Description
Help for Job Description. Opens a new window. About the role Discovery 2 Scale is building the Autonomous Foundry for Advanced Materialsan 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 youll 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.
Benefits
- 401(k) Plans
- Health Insurance
- Dental Insurance