Nanoengineered Materials: From Polymer Composites to Structured Adsorbents

The challenge for nanoscale modeling and simulation is to bridge the length and time scales that are necessary to connect nanostructure of the material with its macroscopic properties. This challenge can only be met by combining the efforts of individual researchers who collectively are expert in a wide range of computational and theoretical techniques. The team we have assembled from the University of Pittsburgh (including senior collaborators, R. D. Coalson and K. D. Jordan, Department of Chemistry) and M.I.T. contains representation and perspectives from the traditional disciplines of physics, chemistry, chemical engineering and materials science. Our aim is to attack problems of critical importance to the energy and chemical industries, for example, the efficient design of nanocomposites, polymeric batteries, adsorbents for hydrogen storage and molecular sieves for gas separation.