Materials Engineer, DFT & MD, Terafab

The team is seeking a DFT/MD Materials Simulation Engineer to drive atomistic and first-principles modeling of semiconductor and thin-film material systems. You will use Density Functional Theory (DFT), Molecular Dynamics (MD), and related computational methods to predict material properties, guide experimental design, and accelerate the discovery of new functional materials. You will collaborate closely with experimentalists to validate simulation predictions and build physics-based models that inform process and materials decisions across the organization. This position requires up to 20% travel.

• Perform DFT calculations to predict electronic structure, defect energetics, surface/interface stability, and thermodynamic properties of semiconductor and thin-film materials
• Conduct classical and ab-initio molecular dynamics simulations to study film growth mechanisms, diffusion, and thermal stability
• Develop and validate interatomic potentials and force fields for materials systems of interest
• Collaborate with experimentalists to design simulation-informed experiments and validate computational predictions against characterization data
• Build and maintain computational workflows and databases for high-throughput materials screening
• Apply data-driven approaches to accelerate materials property prediction and inverse design
• Communicate simulation results and materials design recommendations to cross-functional teams through reports and presentations

• Degree in Materials Science, Physics, Chemistry, or Computational Science with a focus on atomistic simulation, or equivalent experience
• 3+ years of postdoctoral or industry experience in DFT and/or MD simulation of solid-state or thin-film materials
• Proficiency with DFT codes (VASP, Quantum ESPRESSO, or similar) and MD packages (LAMMPS, GROMACS, or similar)
• Strong programming skills in Python, and experience with scientific computing libraries (NumPy, SciPy, ASE, pymatgen)
• Demonstrated ability to connect simulation results to experimental observables
• Familiarity with CALPHAD methods, phase-field modeling, or automated workflow tools is a plus
• Ability to travel domestically up to 20%

Along with competitive pay, as a full-time Tesla employee, you are eligible for the following benefits at day 1 of hire:

• Medical plans > plan options with $0 payroll deduction
• Family-building, fertility, adoption and surrogacy benefits
• Dental (including orthodontic coverage) and vision plans, both have options with a $0 paycheck contribution
• Company Paid (Health Savings Accounts) HSA Contribution when enrolled in the High-Deductible medical plan with HSA
• Healthcare and Dependent Care Flexible Spending Accounts (FSA)
• 401(k) with employer match, Employee Stock Purchase Plans, and other financial benefits
• Company paid Basic Life, AD&D
• Short-term and long-term disability insurance (90 day waiting period)
• Employee Assistance Program
• Sick and Vacation time (Flex time for salary positions, Accrued hours for Hourly positions), and Paid Holidays
• Back-up childcare and parenting support resources
• Voluntary benefits to include: critical illness, hospital indemnity, accident insurance, theft & legal services, and pet insurance
• Weight Loss and Tobacco Cessation Programs
• Tesla Babies program
• Commuter benefits
• Employee discounts and perks program