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ATI Logo ATI · Research and Development

Computational Materials Scientist

United States, Monroe · Job Posted January 16, 2026
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Job Description

ATI Inc. is seeking an early-career Computational Materials Scientist with a strong Ni- and/or Ti-based metallurgy background. You will develop and deploy physics-based models to accelerate alloy and process development, link thermodynamic/kinetic predictions to process simulations, and translate microstructure predictions into property outcomes for production-scale processes.

Job Responsibility

  • Develop and validate thermodynamic/kinetic models for Ni- and Ti-based alloys using tools such as Thermo-Calc, Pandat, and related modules (e.g., DICTRA/TC-PRISMA/MatCalc equivalents) to support alloy/process design
  • Build workflows that couple CALPHAD outputs with finite element and process simulation environments (e.g., Abaqus, DEFORM) for heat treatment, forging/rolling, casting, and additive processes
  • Predict and analyze microstructure evolution (e.g., grain size, texture, precipitation, phase fractions) and link predictions to mechanical properties and product performance
  • Design and execute computational and physical experiments (DoE) in both lab and production environments, comparing model results with experimental data, and iterating for accuracy and robustness
  • Develop maintainable analysis scripts (e.g., Python/MATLAB) and data pipelines for reproducible modeling, visualization, and reporting
  • Collaborate with metallurgists, process engineers, and operations team members to drive decisions, document results, and present recommendations to technical and business stakeholders
  • Opportunity to engage and lead efforts in new alloy, product, and process development at both the lab and production scale
  • Develop physics-based and empirical models. Verify and validate them
  • Utilize modeling to drive manufacturing process improvements, impact product quality, lower manufacturing costs, and developing new products
  • Communicate results to management, colleagues, and customers in the form of written reports and oral presentations
  • Propose, defend, and execute project concepts for new products, cost savings, quality improvement, and process innovation. Collaborate with technology and research colleagues across ATI
  • Maintain industry expertise and current knowledge of developments in process modeling by experimentation, attending meetings and conferences conducted by trade associations, by reviewing trade literature, and by periodic visits to customer, supplier, and other ATI manufacturing locations

Requirements

  • PhD or MS in Materials Science or Metallurgical Engineering (or closely related field with strong metallurgy focus)
  • Foundation in physical metallurgy of Ni- and/or Ti-based alloys (phase equilibria, diffusion, precipitation/strengthening, deformation and texture development)
  • Hands-on experience with one or more of the following: Thermodynamic/kinetic modeling (e.g., Thermo-Calc, Pandat, DICTRA/PRISMA/MatCalc)
  • Finite element analysis (Abaqus, ANSYS, etc.)
  • Process simulation (DEFORM, COMSOL, Simufact, or similar)
  • Proficiency in Python or MATLAB for data analysis, automation, and visualization
  • Clear communication skills and the ability to work across multi-disciplinary teams

Nice to have

  • 5+ years’ experience preferred
  • Familiarity with JMAK (Johnson–Mehl–Avrami–Kolmogorov) kinetics for phase transformation/precipitation modeling
  • Experience with grain size and/or texture prediction (big plus), EBSD/XRD data interpretation, and microstructure-property linkage
  • Exposure to phase-field or mesoscale modeling (e.g., MICRESS, OpenPhase) and/or crystal plasticity frameworks (e.g., CPFEM)
  • Experience modeling thermomechanical processes (forging/rolling), heat treatment, or additive manufacturing of Ni/Ti alloys
  • Familiarity with HPC, containerized workflows, and modern software practices (version control, testing, documentation)
  • Experience integrating plant or laboratory data with models
  • statistical methods/DoE
  • Alloy development (Ni-based superalloys, Ti alloys, steels)
  • Familiarity with working in a relevant industrial manufacturing environment, notably around ingot metallurgy and thermo-mechanical processing
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