AI Materials Research Engineer

About the role

Applied Materials is seeking an AI Materials Research Engineer to accelerate semiconductor materials discovery using scientific AI, computational materials science, and machine learning. The role blends materials science expertise with AI/ML, simulation, and data‑driven modeling to develop next‑generation materials and process innovations.

Key responsibilities

• Develop AI/ML models for materials property prediction, screening, optimization, and generative design.
• Apply computational methods such as density functional theory, molecular dynamics, kinetic Monte Carlo, and phase‑field simulations.
• Build surrogate models to speed up simulation‑driven research and create informatics pipelines that integrate experimental data, characterization results, simulation outputs, and scientific literature.
• Design AI copilots and agentic workflows for literature review, hypothesis generation, experiment planning, and simulation orchestration.
• Collaborate with materials scientists, process engineers, and AI teams to deliver scientific AI solutions.

Required profile

• 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 machine learning, or AI for scientific applications.
• Strong understanding of crystal structures, thermodynamics, kinetics, defect physics, and semiconductor materials.

Required skills

• Python programming and machine‑learning libraries (PyTorch, TensorFlow, Scikit‑Learn).
• Computational methods: Density Functional Theory (DFT), Molecular Dynamics (MD), Kinetic Monte Carlo (kMC), Phase‑Field Modeling.
• Simulation platforms such as VASP, Quantum Espresso, CP2K, LAMMPS, or GROMACS.
• Materials databases like Materials Project, OQMD, or NOMAD.
• Experience with Graph Neural Networks, physics‑informed ML, and generative AI for materials design.
• Use of cloud or HPC environments for large‑scale model training and simulations.

What we offer

• Salary range $131,000 – $180,000 per year.
• Location in Santa Clara, CA with an onsite work environment.
• Supportive culture that encourages learning, development, and career growth.
• Comprehensive benefits, bonus eligibility, and stock award programs.