Systematic Theoretical Description of Thermodynamics and Dynamics of Self-Assembly

点击翻译按钮获取中文摘要

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.