Despite the relatively large number of self-assembly systems, the fundamental processes that underlie the generation of complexity and emergent properties generally remain unknown. Even for relatively simple self-assembly systems operating at equilibrium, the kinetics and dynamics of self-assembly are often poorly understood. Complex systems which typically operate under far-from-equilibrium conditions remain even less well characterized. Here, we will (1) develop techniques for studying kinetics and dynamics of self-assembly at micro- and nanosecond time scales, (2) use these techniques to study complexity and emergence in model self-assembly systems especially in systems that self-assemble under non-equilibrium conditions, and (3) apply the results of these fundamental studies to design and develop complex adaptive systems. Through these studies, we hope to lay the foundation for rationally designing and developing novel complex adaptive systems and emergent materials.
Over the past decade, a large number of individual functional components that undergo well defined structural changes in response to suitable stimuli (e.g. electrochemistry, pH, photochemistry, chemical) have been developed by us and others. However, little work has been directed toward developing methods to integrate multiple components into a larger system and to allow efficient communication between different components as a network. A central process to developing such network systems is self-sorting, the ability to efficiently distinguish between self and non-self within complex mixtures–a fundamental property of natural and biological systems. In biology, network systems based on complex self-sorting systems are capable of responding to stimuli from their environment, exhibit adaptive behavior, and are capable of evolution. Building on our expertise on host molecules with unique recognition properties such as CB[n], we will construct combinatorial libraries organized to have social self-sorting property based on heteromeric recognition. The expected emergent properties from those social self-sorting processes in complex systems will further lead us to explore advanced applications including network-based sensors and stimuli-responsive, self-regulated smart capsids.
Emergent materials are micro-/mesoscale architectures that possess complex adaptive properties emerging as integrated. They exhibit unique emergent properties, including unconventional catalysis, unorthodox magnetic coupling, and unusual cooperation of multifunctional properties. These materials may also serve as building blocks for larger emergent materials and systems. Our fundamental studies on self-assembly should provide a unique opportunity for the preparation of a variety of complex nanomaterials exhibiting emergent properties. We will focus on the following three different classes of emergent materials.