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autonomous reasoning and XAI, and would help design and develop software and systems to enable the adoption of KRR technologies within materials science and engineering. The successful applicant does not need
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addition, the emerging "materials by design" paradigm places emphasis on the use the computation for the development and design of new materials. Candidates with an interest and background in computational
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experiments, measured quantities of interest, and optimized experimental design. Methods that yield analytic solutions are often employed to reduce the complexity of mathematical models and can, in turn help
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. Advisers name email phone Yamil Simon ysimon@nist.gov 301.975.8638 Description NIST has long developed and provided reference materials to assist others in making reliable measurements. The NIST Standard
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species over another. Density functional theory (DFT) calculations assist in the rational design of new materials by providing quantitative results on the stability of the framework and the binding energies
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findings, help better understand the CO2 capture mechanisms, and suggest possible routes for improving existing materials and designing new materials. key words carbon capture; carbon storage; carbon
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microscopy or magnetic instrument design to help develop this magnetic scanning microscope to quantitatively measure temperature throughout the volume of solid state, chemical, or biological samples. A
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. Chemical engineers constantly need reliable property data for process design development and optimization. This information is predominantly coming from scientific publications. Thousands of papers
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phone Tyler Biron Martin tyler.martin@nist.gov 301 975 8866 Description Complex liquid mixtures are the foundation of industries ranging from personal care products to biotherapeutics to specialty
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. This computational approach, incorporating quantum mechanics, can help materials research by a) directly simulating and interpreting experiments, b) establishing relationships between material structure and properties