Project Description

The use of nanoparticles as building blocks for self-assembly enables new approaches to design materials with specific target applications. In its second year, this project will continue to explore the mechanisms by which simple, complex and aperiodic structures grown for a variety of particle shapes and potentials, yielding insights for the development of new nano materials.

The properties and behavior of crystalline materials depend directly on the quality of the crystals, which in turn depends on how the crystal formed. From Big Pharma to the chocolate industry, product quality depends on the ability to predict and control crystallization.

With substantial resources from Titan, this team is carrying out the most in-depth computational study of nucleation and grown that has ever been undertaken. The team is seeking to understand the nature of the processes by which fluids crystallize into complex colloidal crystals. Both the large system size and sampling complexity needed for these studies requires massively parallel computing systems.

The team’s approaches will be of immediate and even broader interest to the materials, engineering and chemistry communities interested in crystallization.

Allocation History

Source Hours Start Date End Date