Atomistic Transport Researcher

Morgan State University

• $86K *
Baltimore, MD 21215In-Person
Manufacturing & Automotive
Less than 5 years of experience
Today
Be an Early Applicant
Job Overview by Ladders

Qualifications

  • Doctorate in Materials Science, Physics or related field.
  • 4 years of relevant experience in atomistic transport research.
  • Proficiency with DFT and specific software: VASP, Quantum Espresso, GPAW, DFTB+, SIESTA/TranSiesta, QuantumATK.
  • Hands-on experience with NEGF calculations and electronic transport phenomena.
  • Familiarity with integrating machine learning techniques into simulations.

Responsibilities

  • Develop a workflow for high-throughput NEGF calculations of semiconductor interfaces.
  • Apply simulations to analyze ideal and defective systems with a focus on defects affecting device performance.
  • Run simulations with atomistic software and analyze data for material property investigations.
  • Collaborate on industry-relevant problems with external stakeholders.
  • Coordinate with experimentalists to validate findings through electrical measurements.
  • Collaborate within a modeling team to connect atomistic-scale data to larger device contexts.
  • Utilize NEGF and machine learning methods to explore electronic transport at a broader scale.
  • Package and share software and workflows for the semiconductor research community.

Benefits

  • Flexible work hours to accommodate research timelines.
  • Opportunity to collaborate with leading industry professionals.
  • Access to cutting-edge research tools and software.
  • Contributions to impactful semiconductor research and developments.
  • Potential for exposure to advanced machine learning applications in research.
Full Job Description
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 Salary

Pays
$41.35 / hour

Percentage Amount

Fund 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 Consideration

Posting Detail Information

Posting Number

Number of Vacancies
1

Job Open Date
08/07/2026

Application Review Date

Job Close Date
08/24/2026

Special Instructions to Applicant

Quicklink for Posting
https://morgan.peopleadmin.com/postings/8860
* Ladders Estimates

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