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on developing advanced magnetic resonance imaging (MRI) that can provide better artefact-free images and more precise quantitative measurements. This research includes developing: new methods for RF and gradient
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spectrometry instrumentation has been pushed to the limits of mass detection to spectral resolutions over 100,000, allowing for specific mass determination and unknown compound identification. Analytical methods
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water sensor at the molecular level. Our measurement techniques and numerical models based on constrained regularization algorithms allow us to link these measurements with other techniques including
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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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molecular motors and RNA-folding. In a parallel effort, we significantly enhanced the biophysical capabilities of an atomic force microscope (AFM). Specifically, we achieved sub-pN force precision and
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strain rates and temperatures. Identifying material properties and constitutive model parameters from the integrated data sets currently focuses on the finite element model updating (FEMU) method, but
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, (2) interpretation of experimental spectra, (3) development of semi-empirical methods, (4) studies of reactivity indices, (5) computational electrochemistry, and (6) chemical informatics. The explosion
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structural techniques for probing the interface, such as SEIRAS and STM, with computational methods to develop new electrochemical models. The computational work focuses on combining DFT methods
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employed. This involves the computational determination of 3-D features of a specimen from a series of their 2-D projections. By carefully preparing the specimen, designing the experimental acquisition, and
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on a collaboration with experts across multiple Laboratories at NIST involving detector-response modelling, next-generation TES sensor design, and quantitative sample-preparation methods. key words