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metabolomics. Our studies focus on developing new mass spectral data analysis algorithms (e.g., clustering) to better solve the common key persistent problems arising from factors such as mass shift and peak
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a premier tool for probing atomic dynamics, yet extracting physical insights from experimental data remains a significant computational challenge. Traditional methods—Empirical Force Fields and
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and novel data-processing tools need to be developed to embrace these new techniques and further elevate their capabilities. Instrumentation available for this research includes ion trap, Orbitrap, and
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mechanics (Monte Carlo or molecular dynamics simulation, calculation of virial coefficients from intermolecular potentials, etc.) can be used to supply data where experiments are infeasible or unavailable
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are particularly interested in developing and characterizing hybrid quantum systems (interfaces between dissimilar physical media), suitable for quantum information purposes, and exotic sources of faint light
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color centers for novel quantum sensing and information processing applications at the single photon level. Applicants should have experience in one or more of the following areas: nanofabrication
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considerable amount of data of the standard biological fluids on different LC-MS platforms and in-house software has been developed for chromatography alignment, spectral similarity, peak deconvolution, and
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pushed the limits of mass detection to spectral resolutions over 100,000, allowing for specific mass determination and unknown compound identification. Analytical methods and novel data-processing tools
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, or techniques that will speed up analysis times, provide increased information to the chemist, and/or simplify data interpretation while enhancing data quality. One of the goals of the forensic program at NIST is
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. The information of the time dependent structural information is very important for many applications relying on non-equilibrium processes, such as light triggered chemical reaction to synthesize novel materials