Description

The nanoBIO Node at Illinois is a resource for understanding and designing nanoBIO devices and systems. This NSF funded activity is a collaboration between the University of Illinois at Urbana-Champaign and the University of California at Merced. The node provides simulation building blocks and educational resources for use in nanoBIO device engineering.

Presentation Materials (1-1 of 1)

1. [Illinois] Materials Design through Computics: Large-Scale Density-Functional Calculations for Nanomaterials in the Real-Space Scheme

   Presentation Materials | 09 Oct 2014 | Contributor(s):: Atsushi Oshiyama

   I report on our efforts to perform large-scale total-energy electronic-structure calculations in the density-functional theory (DFT) that clarify atomic and electronic structures of nanometer-scale materials and structures. Calculations have been done by our newly developed real-space scheme...