1. ABINIT

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   13 May 2004 | Tools | Contributor(s): Amritanshu Palaria, Xufeng Wang, Benjamin P Haley, Matteo Mannino, Gerhard Klimeck

   Run the community code ABINIT for electronic structure calculations under density functional theory through a convenient graphical user interface

   http://nanohub.org/resources/ABINIT

2. Computational Nanoscience, Lecture 17: Tight-Binding, and Moving Towards Density Functional Theory

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   Total: updated 01 Jan, 2010
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   21 Mar 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

   The purpose of this lecture is to illustrate the application of the Tight-Binding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping …

   http://nanohub.org/resources/4164

3. Computational Nanoscience, Lecture 18: Density Functional Theory and some Solid Modeling

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   21 Mar 2008 | Teaching Materials | Contributor(s): Elif Ertekin, Jeffrey C Grossman

   We continue our discussion of Density Functional Theory, and describe the most-often used approaches to describing the exchange-correlation in the system (LDA, GGA, and hybrid functionals). We …

   http://nanohub.org/resources/4166

4. Computational Nanoscience Class Tools

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   15 Jan 2008 | Tools | Contributor(s): Daniel Richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe

   Tools for Computational Nanoscience Course

   http://nanohub.org/resources/ucb_compnano

5. Matdcal

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   30 Jan 2008 | Tools | Contributor(s): Kirk Bevan

   Non-equilibrium Green's Function Density Functional Theory Simulator

   http://nanohub.org/resources/Matdcal

Total 5 results found. | See more results

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   Eric Isaacs

   http://nanohub.org/members/26988

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   Alexander S McLeod

   A graduate from the Physics and Astrophysics programs at the University of California, Berkeley, I first began working in materials research and computational physics in the summer of 2008 as an …

   http://nanohub.org/members/28542

Total 2 results found.