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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
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RAP opportunity at National Institute of Standards and Technology NIST Mathematical Modeling and Simulation Location Information Technology Laboratory, Applied and Computational Mathematics
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regimes, and accurate geometry- and biochemistry-based trajectory analyses. However, detailed molecular dynamics simulations are often too time-consuming to become the basis of computational measurements
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variety of fluids including refrigerants, lubricants, and fuels. We are currently investigating the thermophysical properties of sustainable fuels to aid in their integration into the fuels market. Our
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of aqueous chemical models, incorporated into computer codes, for both pure and applied research that include industrial chemistry, chemical engineering, water treatment, hydrometallurgy, toxicology, medical
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to reliable manufacturing of the next generation computing devices. Computational imaging methods such as coherent diffractive imaging, Fourier ptychography, structured illumination techniques, and other super
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Exploring Material Behavior Across Scales: Mechanical Characterization, Microstructural Analysis, FEA/AI/ML Modeling, and Automation Approaches NIST only participates in the February and August reviews. This research topic is not limited to the methods or techniques discussed below. We encourage...
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of individual calculations as well as comparing multiple calculations. Experience with coding, web design and database interactions will help as all source code, calculation methods, and results will be made
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believe that metabolomics/lipidomic studies may aid in describing organismal health norms, extrapolating to reveal ecosystem health condition and serve as an environmental monitoring tool. Furthermore
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vibrations. A companion molecular modeling effort is absolutely critical due to the complexity and nascency of this spectroscopic region, and is implemented with the aid of a 6-node UNIX cluster and