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Computational Materials Scientist

Department of Commerce - Gaithersburg, Maryland

Posted Jun 8, 2026

Benefits

Parental leave
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Non-birth-parent leave
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Family-building benefits
  • Fertility benefits: Not verified
  • Adoption assistance: Not verified
  • Surrogacy assistance: Not verified
Mental health support
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Relocation assistance
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Childcare support
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Learning budget
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Verification
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Salary
$85K-$133K From the posting source
401(k) match
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Market context

U.S. role benchmark (BLS OEWS)
$111,944 U.S. median for this role
Projected growth (BLS Employment Projections)
+13.7% - Much faster than average

About in line with the BLS role benchmark for data and ml aggregate.

Matched to SOC 15-1252 - Data and ML aggregate by role bucket.

Source: U.S. Bureau of Labor Statistics, OEWS, May 2024 and Employment Projections, 2024-2034.

Role

Role function
Data From the posting source
Seniority
Mid From the posting source

Schedule

Shift type
Not verified
Weekend work
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Application

Cover letter
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Assessment
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Deadline
Not stated

Where they hire

Hires in: MD From the posting source

About this role

Computational Materials Scientist Gaithersburg, Maryland Summary NIST is seeking a Computational Materials Scientist to develop multi-physics, multi-scale models for quantum materials, semiconductors, and metals. Design high-throughput workflows and Artificial Intelligence (AI) tools, including graph neural networks and Machine Learning (ML) force fields. Investigate transport and superconductivity to accelerate U.S. semiconductor innovation. This notice is issued under direct-hire authority to recruit talent that NIST has a severe shortage of candidates. Duties In this position, you will: Plan and design computational workflows independently for advanced material simulations. Perform and analyze routine electronic structure calculations using density functional theory (DFT). Conduct research on the properties of quantum materials and semiconductor systems. Train, test, and evaluate Artificial Intelligence (AI) models to accelerate materials simulations. Prepare and disseminate workflows, technical reports, and materials data to the scientific community. Education This position has an education requirement. Transcripts must be submitted to validate that the education requirement has been met. Unofficial transcripts will be accepted in the application package. However, an official copy will be required before a final offer of employment. Use of foreign education for qualifications. An accredited organization must evaluate education completed outside of the U.S. to ensure that it is comparable to education received in accredited institutions in the U.S. Click here to view a listing of accredited organizations from the Department of Education's website. A copy of the foreign education evaluation (containing the results with course-by-course listing) is required with your application. Evaluation Please prepare a resume that is no longer than

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