Materials Engineer, DFT & MD, Terafab

What You'll Do

• 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

What You'll Bring

• 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

Benefits

• Competitive pay
• Medical plans
• Family-building, fertility, adoption and surrogacy benefits
• Dental (including orthodontic coverage) and vision plans
• Healthcare and Dependent Care Flexible Spending Accounts (FSA)
• 401(k) with employer match
• Tesla Babies program
• Employee discounts and perks program