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RAP opportunity at National Institute of Standards and Technology     NIST

Machine Learning-driven Autonomous Systems for Materials Discovery and Optimization

Location

Material Measurement Laboratory, Materials Measurement Science Division

opportunity location
50.64.31.B8559 Gaithersburg, MD

NIST only participates in the February and August reviews.

Advisers

name email phone
Aaron Gilad Kusne aaron.kusne@nist.gov 301.975.6256

Description

We are developing machine learning-driven autonomous research systems, designed with the goal of accelerating the discovery and optimization of advanced materials. These systems combine machine learning with machine-controlled materials synthesis and characterization tools for closed loop experiment design, execution, and analysis, where experiment design is guided by active learning, Bayesian optimization, and similar methods. A key challenge is the integration of prior physics knowledge into the data analysis, including both physics theory and databases of experimental and computational materials property data.

We currently run 10 diverse autonomous platforms including machine learning control of neutron scattering, pulsed laser deposition, and additive manufacturing. We are particularly interested in using these autonomous systems to verify and identify the synthesis-process-structure-property relationship for quantum solid state materials. 

References:

Liang, et al., 2025. Real-time experiment-theory closed-loop interaction for autonomous materials science. Science Advances, 11(27), p.eadu7426.

Kusne, et al., 2020. On-the-fly closed-loop materials discovery via Bayesian active learning. Nature communications, 11(1), p.5966.

key words
Materials Genome Initiative; Autonomous; Machine learning; Informatics; High-throughput; Data mining; Functional materials; Active Learning

Eligibility

Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants

Stipend

Base Stipend Travel Allotment Supplementation
$82,764.00 $3,000.00
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