General Lab Information

Computation and Data-Driven Discovery (C3D): Components

Photo CFN researcher

Center for Functional Nanomaterials

One major goal of research at the Center for Functional Nanomaterials (CFN) is to gain knowledge about the structure and function of materials at the nanoscale (i.e., on the scale of billionths of a meter) and use that information to design new materials with improved functions. The CFN Computation Facility and Theory Group provides multi-purpose high-performance computing for internal projects and a vibrant external user community. Its resources include approximately 2,200 computing cores, supported by high-speed networking to facilitate intensive, parallel computing as well as data storage.

The group hosts a diverse array of nanoscience theory, modeling, and simulation projects. Examples include computations directed at understanding how the atomic-scale structure of supported nanocrystals relates to their performance in catalysts, and simulations of how tailoring interparticle interactions can affect the formation of different phases from nanoparticle constituents. Use of the group’s resources by external researchers is allocated through the peer-review-based CFN User Proposal system.