Systematic Theoretical Description of Thermodynamics and Dynamics of Self-Assembly

芝加哥大学（University of Chicago）的卡尔·弗里德（Karl Freed）因对自组装的系统理论描述的研究而获得了理论与计算化学项目的奖项。这项工作建立在PI先前的nsf支持的工作的基础上，该工作侧重于平衡关联，并有助于对超分子组装，复杂性和涌现的基本理论理解。Freed现在正在推广这种方法来考虑几种非平衡过程，包括支簇的可逆形成，紧凑簇的自组装以及表面吸附和脱附与自组装的耦合。Freed和他的团队正在进行的理论和计算工作预计将通过在生物学和材料科学中的应用产生广泛的影响，并成为开发“自下而上”制造和制造功能纳米结构的有效策略的关键组成部分。

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.