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Jul 12 2010
2010 NCN@Purdue Summer School: Electronics from the Bottom Up
This year’s summer school will have two components: a focus on nanoelectronic devices, with an introduction to spintronics and, second, tutorials on selected topics in nanotechnology. First, we use …
ABINIT: First-Time User Guide
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09 Jun 2009 | Teaching Materials | Contributor(s): Benjamin P Haley
This first-time user guide provides an introduction to using ABINIT on nanoHUB. We include a very brief summary of Density Functional Theory along with a tour of the Rappture interface. We discuss …
Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
30 Apr 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin
In this class we briefly review band structures and then spend most of our class on in-class simulations. Here we use the DFT for molecules and solids (Siesta) course toolkit. We cover a variety of …
Computational Nanoscience, Lecture 28: Wish-List, Reactions, and X-Rays.
16 May 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin
After a brief interlude for class feedback on the course content and suggestions for next semester, we turn to modeling chemical reactions. We describe chain-of-state methods such as the Nudged …
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