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dynamics of these systems at equilibrium conditions, the time dependent or transient structures of complex soft matter materials are significantly under explored, in particular at nanometer length scale
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soft materials are sought especially for the following programmatic areas of interest: (1) Structural properties, dynamics and transport in thermoplastic, thermoset, and functional polymers; (2
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molecular dynamics simulations can be used to determine these fundamental properties and pathways. Such simulations require accurate force field models to enable molecular structure prediction and binding
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of structural responses for performance-based seismic engineering of tall buildings. Opportunities include the following: (1) developing improved modeling and analytical capabilities for nonlinear dynamic
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, biopharmaceuticals, and vaccines. Topics of particular interest include the effects of post-translational modifications (PTMs) on protein dynamic structure and protein-ligand interactions, structure-function
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thermodynamic, diffusion mobility, and molar volume CALPHAD-based databases with various computational tools to predict desired material properties (e.g., strength, fatigue) in structural materials. Essential
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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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dioxide capture, storage, and utilization. We use diffraction and neutron scattering techniques to study structures and dynamics of CO2 after absorption in order to elucidate location and dynamics of CO2 in
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202 578 8353 Edwin Pak-Nin Chan edwin.chan@nist.gov 301.975.5228 Sara Orski sara.orski@nist.gov 301 975 4671 Description Understanding the structure and mechanical properties of polymer networks is
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301.975.4347 Description Certain functional materials, especially those with perovskite or related structures, exhibit remarkable physical properties, such as large dielectric constants, large piezoelectric