AI Materials Research Engineer
Key Skills for This Role
Full Job Posting
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:
- Employee Type:
- Travel:
- Relocation Eligible:
- 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 [email protected], 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.
About Applied Materials
Global leader in materials engineering for the semiconductor industry.
Visit company websiteJobs and hiring trendsApply for this job in 1 click
Skip the repetitive application forms
Install the Base Career Chrome Extension and autofill job applications across major job boards with your profile.
Trusted by over 500,000 job seekers on Base Career
More from this employer
More jobs at Applied Materials
Director, Process Engineer
Santa Clara, USA
CD-SEM Metrology Engineering Technician (Weekend Shift)
Gloucester, USA
Implant Account Technologist
Gloucester, USA
Hardware (HW) Qualification and Development Support Team (DST) Engineer IV
Santa Clara, USA
Technical Project Manager
Gloucester, USA
Test Systems Engineer, Test Excellence
Austin, USA
Electrical Engineer
Bengaluru, IND
Electrical Engineer
Bengaluru, IND