Assembly of Nanoscale Systems

The new revolution in nano-science, engineering and technology is being driven by our ability to manipulate matter at the molecular and supramolecular level to create "designer" structures. My group uses computer simulation to understand the fundamental principles of how nanoscale systems, such as Buckyballs, nanotubes, quantum dots, or silica “cubes” linked by conventional and bio-polymers, self-assemble, and to discover how to control the assembly process to engineer new materials and devices. By mimicking biological assembly through, e.g., the use of DNA as assemblers of nano-sized objects, we are learning how to nano-engineer systems that are self-assembling, self-sensing, self-healing, and self-regulating.

Simulation of DNA- and Polymer-Mediated Nanoscale Assembly

Theory and Simulation of Patchy Particles

Integrated Multiscale Modeling of Molecular Computing Devices

Surfactant Assembly on Nanostructured Surfaces