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 Accommodations_Program@amat.com, 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.
