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Materials Engineer, DFT & MD, Terafab
Accepting applicationsTesla · Austin, TX
Full-Time Entry DFTPython
Posted
6d ago
Category
Test
Experience
Entry
Country
United States
What To Expect
Tesla, SpaceX, and xAI are partnering to launch the most epic chip-building effort ever – combining logic, memory, and advanced packaging under one roof. Terafab will close the gap between today's chip production and the future's demand – a future among the stars.
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.
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
Ability to travel domestically up to 20%
Benefits
Compensation and Benefits
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
, Tesla
Show more Show less
Tesla, SpaceX, and xAI are partnering to launch the most epic chip-building effort ever – combining logic, memory, and advanced packaging under one roof. Terafab will close the gap between today's chip production and the future's demand – a future among the stars.
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.
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
Ability to travel domestically up to 20%
Benefits
Compensation and Benefits
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
, Tesla
Show more Show less