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Tags: material properties

Resources (1-20 of 70)

  1. ABINIT: First-Time User Guide

    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...

    http://nanohub.org/resources/6874

  2. Carbon NanoTubes: Structure - Properties - Applications

    19 Mar 2012 | Teaching Materials | Contributor(s): Yuri A Kruglyak

    Presentation slides for seminar given for students of Faculty of Computer Sciences of Odessa State Environmental University, Ukraine by Prof. Yuri Kruglyak on May 22, 2008.

    http://nanohub.org/resources/13530

  3. Computational Nanoscience, Lecture 3: Computing Physical Properties

    11 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

    In this lecture, we'll cover how to choose initial conditions, and how to compute a number of important physical observables from the MD simulation. For example, temperature, pressure, diffusion...

    http://nanohub.org/resources/4028

  4. Computational Nanoscience, Lecture 4: Geometry Optimization and Seeing What You're Doing

    13 Feb 2008 | Teaching Materials | Contributor(s): Jeffrey C Grossman, Elif Ertekin

    In this lecture, we discuss various methods for finding the ground state structure of a given system by minimizing its energy. Derivative and non-derivative methods are discussed, as well as the...

    http://nanohub.org/resources/4035

  5. Semiconductor Device Education Material

    28 Jan 2008 | Teaching Materials | Contributor(s): Gerhard Klimeck

    This page has moved to "a Wiki page format" When we hear the words, semiconductor device, we may think first of the transistors in PCs or video game consoles, but transistors are the basic...

    http://nanohub.org/resources/edu_semi

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