Systematic Theoretical Description of Thermodynamics and Dynamics of Self-Assembly

University Of Chicago, Chicago IL

Investigators

Abstract

Karl Freed of the University of Chicago is supported by an award from the Theoretical and Computational Chemistry program for research on the development of a systematic theoretical description of self-assembly. The work builds on the PI's prior NSF-supported work that focused on equilibrium association and contributed to the basic theoretical understanding of supramolecular assembly, complexity and emergence. Freed is now generalizing this approach to consider several non-equilibrium processes including the reversible formation of branched clusters, self-assembly of compact clusters and the coupling of surface adsorption and desorption with self-assembly. The theoretical and computational work being carried out by Freed and his group is expected to have a broad impact through application in both biology and materials science and to be a key component in developing effective strategies for "bottom-up" manufacturing and fabrication of functional nanostructures.