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essential to many biological functions; however, it is still not clear how the bilayer structure, dynamics and functionalities are correlated. Our understanding is in part limited by experimental challenges
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, an improved understanding of the structure and dynamics of these molecules is needed. Because of the electrostatic interactions and connectivity of polymers, the dynamics and structure of these materials
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of linking atomic interactions to larger scale dynamic materials properties. A primary challenge with these investigations is that the predicted results are often extremely sensitive to the choice
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RAP opportunity at National Institute of Standards and Technology NIST Models and Protocols for Accelerated Simulations of Molecular Interactions and Dynamics Location Information Technology
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characterize complex fluids and their interaction with other matters. However, measurements require interpretation that is aided by computational fluid dynamics (CFD) and computational fluid particle dynamics
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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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called the Fire Dynamics Simulator (FDS) . FDS is a block structured Cartesian LES code for low-speed flow which uses a high-order cutcell-immersed boundary method for complex geometry and is specifically
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conformation and dynamics in the one-phase region of oppositely charged polyelectrolyte solutions. Systems under investigation include polyelectrolytes of novel chain architecture (multi-arm star and block
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RAP opportunity at National Institute of Standards and Technology NIST Dynamic Mechanical Property Measurements of Metals, Ceramics, and Polymers Using Novel Kolsky Bar Techniques Location
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details of regulatory mechanisms for ERK1/2 is a timely and important goal. Structural, biochemical, and biophysical experiments carried out by Natalie Ahn's lab and others have established key aspects