AI Materials Research Engineer

Location: Santa Clara, CA, United States

Salary: $131,000–$180,000 per year

Company

hirify.global develops materials science and engineering solutions for semiconductor chips and advanced displays.

What you will do

• Develop AI/ML models for materials property prediction, screening, optimization, process-performance modeling, and generative materials design.
• Apply computational materials methods including DFT, molecular dynamics, kinetic Monte Carlo, phase-field, and Monte Carlo simulations.
• Build AI surrogate models to accelerate simulation-driven materials research.
• Create materials informatics pipelines integrating experimental data, characterization results, simulation outputs, and scientific literature.
• Develop AI copilots and agentic workflows for literature review, hypothesis generation, experiment planning, and simulation orchestration.
• Collaborate with materials scientists, process engineers, and AI teams on Scientific AI solutions.

Requirements

• MS or PhD in Materials Science, Computational Materials Science, Physics, Chemical Engineering, or a related field.
• Up to 2 years of experience in computational materials science, materials informatics, scientific ML, or AI for scientific applications.
• Strong Python programming and machine learning experience with PyTorch, TensorFlow, and Scikit-Learn.
• Experience with at least one computational method: DFT, molecular dynamics, kinetic Monte Carlo, or phase-field modeling.
• Strong knowledge of crystal structures, thermodynamics, kinetics, defect physics, and semiconductor materials.

Nice to have

• Experience with VASP, Quantum Espresso, CP2K, LAMMPS, GROMACS, or similar simulation platforms.
• Experience with Materials Project, OQMD, NOMAD, or similar materials databases.
• Familiarity with graph neural networks, materials foundation models, physics-informed ML, or generative AI for materials design.
• Experience with cloud or HPC environments for large-scale model training and simulations.

Culture & Benefits

• Full-time employment as a New College Grad position.
• Supportive work culture focused on learning, development, and career growth.
• Comprehensive benefits package with health and wellbeing programs.
• Potential eligibility for bonus and stock award programs.
• Travel required up to 10% of the time.
• Relocation eligible.