We seek to develop a deeper understanding of separation processes involving, e.g., polymer membranes, to improve current technologies by reducing energy input and advancing anti-fouling designs. The desalination of water using reverse osmosis membrances is of particular interest with the Chemical Sciences Division at the present time, and applicants to this opportunity will be able to interact with experimental scientists with expertise in applying Analytical and Polymer Chemistry techniques to water desalination (and related) problem(s). There are further opportunities for developing research programs that utilize NIST's state of the art measurement capabilities such as those found at the NIST Center for Neutron Reasearch (NCNR).

The principle tools employed will be quantum chemistry calculations, molecular dynamics simulations, multiscale modeling, and data analysis techniques. Connecting the microscopic details investigated by quantum chemistry and molecular dynamics studies to larger length scales is especially desirable as it presents the opportunity for comparison with laboratory measurement. Computational resources to support research on this topic are available at NIST as well as within the Computational Informatics Research Group, including a new machine that supports high-performance research in data analysis and machine learning.