Job Title Atomistic Transport Researcher
Division Research & Economic Development
Department NIST PREP
Job Effective Date 12/01/2026
Job End Date 12/31/2027
Work Status Full Time
Position Category Contractual
FLSA Exempt
Annual SalaryPays $41.35 / hour
Percentage AmountFund Source Federal/Grant
Requisition Reason New
Job Duties - Develop a comprehensive workflow to conduct high-throughput NEGF calculations to obtain conductance, I-V characteristics, and transmission spectra for several semiconductor interfaces (semiconductor/metal, semiconductor/amorphous dielectric, semiconductor/semiconductor).
- Apply NEGF workflow to study ideal and defective systems, focusing on experimentally relevant defects (i.e., traps that impact device performance).
- Run simulations using atomistic (electronic structure and transport) software such as VASP, Quantum Espresso, GPAW, DFTB+, SIESTA/TranSiesta, QuantumATK, or similar codes, and perform data analysis, to investigate relevant material properties
- Work closely on industry-relevant problems, driven by external stakeholders
- Work alongside experimentalists conducting electrical measurements of semiconductor devices for validation
- Work alongside other members of the modeling team to bridge the atomistic scale with device scale
- Use NEGF in conjunction with machine learning techniques such as machine learning force fields and machine learning Hamiltonians to study electronic transport phenomena at a larger scale
- Package and disseminate software/workflows and data for use by the broader semiconductor research community
Requested Minimum Qualifications Education:- A Doctorate in Materials Science and Engineering, Physics or a related field from an accredited college or university.
Experience:- 4 years of relevant experience.
- Experience with DFT and atomistic transport software: VASP, Quantum Espresso, GPAW, DFTB+, SIESTA/TranSiesta, QuantumATK.
Other Preferences for ConsiderationPosting Detail Information
Posting NumberNumber of Vacancies 1
Job Open Date 08/07/2026
Application Review DateJob Close Date 08/24/2026
Special Instructions to ApplicantQuicklink for Posting https://morgan.peopleadmin.com/postings/8860