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QWalk: Quantum Monte Carlo
15 Jun 2007 | Tools | Contributor(s): Lucas Wagner, Jeffrey C Grossman, Jeffrey B. Neaton
Quantum Monte Carlo methods solve the Schrodinger equation for many electrons to high accuracy--exactly in some cases. In most implementations, it also has favorable scaling with system size, …
http://nanohub.org/resources/qwalk
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StrainBands
15 Jun 2007 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman, Eric Schwegler
Explore the influence of strain on first-principles bandstructures of semiconductors.
http://nanohub.org/resources/strainbands
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Nano Heatflow
25 Sep 2007 | Tools | Contributor(s): Joe Ringgenberg, P. Alex Greaney, Daniel Richards, Jeffrey C Grossman, Jeffrey B. Neaton
Study the transfer of energy between the vibrational modes of a carbon nanotube.
http://nanohub.org/resources/nanoheatflow
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CNT Heterojunction Modeler
20 Mar 2008 | Tools | Contributor(s): Joe Ringgenberg, Joydeep Bhattacharjee, Jeffrey B. Neaton, Jeffrey C Grossman
Study the structure and electronic properties of carbon nanotubes with linear heterojunctions.
http://nanohub.org/resources/heterojunction
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Computational Nanoscience Class Tools
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