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breath. The surrogate will then be used to apply on-line PTR-MS to the detection of model drug compounds in a simulated field environment. Experiments could also explore the effects of variables like
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spin dynamic simulations are available to develop approaches compatible with industrial environments. Applications in topic areas can be broad reaching with examples (but not limited to): energy
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, are attempting to expedite discovery by applying modern computational methods to identification and characterization of novel material systems. In this context, the NIST/TRC Group is building capabilities in
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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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of solvation, redox potentials, pKa, spectroscopic observables, enzyme kinetics, etc) for these processes provide a rigorous framework for the validation of novel computational methods. Computational methods
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substances in a wide pressure and temperature ranges). We also possess significant computational resources necessary for successful implementation of molecular simulations and machine learning methods
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part of a research recommendation engine to guide researchers in the lab. The algorithms integrate machine learning, solid state physics, on-the-fly physical experiments, on-the-fly simulations
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, simulation, and applications work in collaboration with experts in government, industry, and academia. Additionally, the Associate will have access to a full cell culture facility (eukaryotic and prokaryotic
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. These small -scale projects offer opportunities across all aspects of an experimental program from simulation to operations and data analysis. key words cold neutrons; cosmology; neutron physics; beta decay
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to guide and validate computational fire models including NIST's Fire Dynamics Simulator (FDS) software. key words Drag; Fire safety; Fire measurements; Fire service technologies; Structural fire resistance