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RAP opportunity at National Institute of Standards and Technology NIST Creating Computational Techniques to Investigate the Ensemble Structures of Flexible Proteins In Combination with Neutron
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RAP opportunity at National Institute of Standards and Technology NIST High-performance Computing and Data Visualization for the NIST Fire Dynamics Simulator Location Engineering Laboratory
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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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Computational Methods for NMR Structural Biology and Biomanufacturing of Protein and Live Cell Therapeutics NIST only participates in the February and August reviews. Protein therapeutics
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the development towards this end of efficient, highly parallel software running on commodity hardware. Novel methods to compute the stray field from magnetized material with attention to interface and
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are encouraged to submit research proposals on the following topics: DFT and MD for computational dielectric spectroscopy Properties of electrochemical double layer (effects on the local polarization, structure
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301.975.8582 Michael Garth Huber michael.huber@nist.gov 301 975 5641 Description This program explores complementary aspects of atom and neutron interferometry with particular emphasis on their interplay with
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absorption fine structure), development of data-analysis approaches and computer software for simultaneous structural refinements using multiple types of data combined with ab initio theoretical modeling
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and distributed control intelligence that can be applied to solve these problems through the application of machine learning, intelligent optimization techniques, automated fault detections and
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also have familiarity with X-ray Diffraction and Pair Distribution Function anaylisis, experience with data acquisition using the Bluesky experiment orchestration package, and knowledge of beamline