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  1. Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I

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    14 Sep 2010 | Online Presentations | Contributor(s): Umesh V. Waghmare

    This lecture provides an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force constants and …

    https://nanohub.org/resources/9683

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