AI Materials Research Engineer

Applied Materials; Santa Clara (CA); On-site; USD 170,000 - 234,000; Full time

Benefits offered by this job

Bonus program

Stock awards

Comprehensive benefits

Job summary

Applied Materials is seeking an AI Materials Research Engineer to accelerate semiconductor materials discovery using Scientific AI, Computational MaterialsScience, and Machine Learning. The role combines materials science expertise with AI/ML, simulation, and data-driven modeling to develop next-generation materials and process innovations.

Based on related internal Materials AI role descriptions. Based on internal artifacts, you will collaborate with teams to deliver AI-driven materials

Qualifications

• MS/PhD in Materials Science, Computational Materials Science, Physics, Chemical Engineering, or related field.
• 2-5 years of experience in Computational Materials Science, Materials Informatics, Scientific ML, or AI for scientific applications.
• Strong Python programming and ML experience (PyTorch, TensorFlow, Scikit-Learn).
• Experience with one or more computational methods: DFT, MD, kMC, Phase-Field Modeling.
• Strong understanding of crystal structures, thermodynamics, kinetics, defect physics, and semiconductor materials.

Responsibilities

• Develop AI/ML models for materials property prediction and screening.
• Apply computational materials methodologies including DFT, MD, kMC, phase-field simulations.
• Build AI surrogate models to accelerate simulation-driven research.
• Create materials informatics pipelines integrating experimental data, characterization results, simulations, and 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 to deliver Scientific AI solutions.

Skills

Python programming

ML frameworks

Materials informatics

AI for science

Scientific ML

DFT/MD/kMC

Thermodynamics

Crystal structures

Education

MS/PhD in Materials Science or related field

Tools

VASP

Quantum Espresso

CP2K

LAMMPS

GROMACS

Job description

Who We Are

Applied Materials is the global leader in materials science and engineering solutions that are at the foundation of virtually every new semiconductor chip and advanced display in the world. The equipment that we create and service is essential to advancing AI and accelerating the commercialization of next-generation semiconductor chips. Join us and push the boundaries of materials science and engineering in a company at the foundation of the electronics industry. The work we do together advances the world's technology.

Who We Are

Applied Materials is the global leader in materials science and engineering solutions that are at the foundation of virtually every new semiconductor chip and advanced display in the world. The equipment that we create and service is essential to advancing AI and accelerating the commercialization of next-generation semiconductor chips. Join us and push the boundaries of materials science & engineering in a company at the foundation of the electronics industry. The work we do together advances the world's technology.

What We Offer

Salary: $170,000.00 - $234,000.00

Location: Santa Clara,CA

You’ll benefit from a supportive work culture that encourages you to learn, develop, and grow your career as you take on challenges and drive innovative solutions for our customers. We empower our team to push the boundaries of what is possible - while learning every day in a supportive leading global company. Visit our Careers website to learn more.

At Applied Materials, we care about the health and wellbeing of our employees. We’re committed to providing programs and support that encourage personal and professional growth and care for you at work, at home, or wherever you may go. Learn more about our benefits.

Role Summary

Applied Materials is seeking an AI MaterialsResearch Engineer to accelerate semiconductor materials discovery using Scientific AI, Computational MaterialsScience, and Machine Learning. The role combines materials science expertise with AI/ML, simulation, and data-driven modeling to develop next-generation materials and process innovations. Based on related internal Materials AI role descriptions.

Key Responsibilities

• Develop AI/ML models for:
  • Materials property prediction
  • Materials screening and optimization
  • Process-performance modeling
  • Generative materials design
• Apply computational materialsmethodologies including:
  • Density Functional Theory (DFT)
  • Molecular Dynamics (MD)
  • Kinetic Monte Carlo (kMC)
  • Phase-field and Monte Carlo simulations
• Build AI surrogate models to accelerate simulation-driven research.
• Create materials informatics pipelines integrating:
  • Experimental data
  • Characterization results
  • Simulation outputs
  • Scientific literature
• Develop AI copilots and agentic workflows for:
  • Literature review
  • Hypothesis generation
  • Experiment planning
  • Simulation orchestration
• Collaborate with materials scientists, process engineers, and AI teams to deliver Scientific AI solutions.

Required Qualifications

• MS/PhD in Materials Science, Computational Materials Science, Physics, Chemical Engineering, or related field.
• 2-5 years of experience in Computational Materials Science, Materials Informatics, Scientific ML, or AI for scientific applications.
• Strong Python programming and ML experience (PyTorch, TensorFlow, Scikit-Learn).
• Experience with one or more computational methods:
  • DFT
  • MD
  • kMC
  • Phase-Field Modeling
• Strong understanding of:
  • Crystal structures
  • Thermodynamics
  • Kinetics
  • Defect physics
  • Semiconductor materials

Preferred Qualifications

• Experience with simulation platforms such as VASP, Quantum Espresso, CP2K, LAMMPS, or GROMACS.
• Experience with Materials Project, OQMD, NOMAD, or similar databases.
• Familiarity with:
  • Graph Neural Networks (GNNs)
  • Materials Foundation Models
  • Physics-Informed ML
  • Generative AI for materials design
• Experience using cloud/HPC environments for large-scale model training and simulations.

Additional Information

Time Type: Full time

Employee Type: Assignee / Regular

Travel: Not Specified

Relocation Eligible: No

The salary offered to a selected candidate will be based on multiple factors including location, hire grade, job-related knowledge, skills, experience, and with consideration of internal equity of our current team members. In addition to a comprehensive benefits package, candidates may be eligible for other forms of compensation such as participation in a bonus and a stock award program, as applicable.

For all sales roles, the posted salary range is the Target Total Cash (TTC) range for the role, which is the sum of base salary and target bonus amount at 100% goal achievement.

Applied Materials is an Equal Opportunity Employer. Qualified applicants will receive consideration for employment without regard to race, color, national origin, citizenship, ancestry, religion, creed, sex, sexual orientation, gender identity, age, disability, veteran or military status, or any other basis prohibited by law.

In addition, Applied endeavors to make our careers site accessible to all users. If you would like to contact us regarding accessibility of our website or need assistance completing the application process, please contact us via e-mail at [e-mail], or by calling our HR Direct Help Line at 877-612-7547, option 1, and following the prompts to speak to an HR Advisor. This contact is for accommodation requests only and cannot be used to inquire about the status of applications.