Tags: DFT

Courses (1-2 of 2)

  1. 2016 IMECE Tutorials on Phonon Transport Modeling

    04 Jan 2017 | Courses | Contributor(s): Alan McGaughey, Xiulin Ruan

    Advances in theoretical methodologies and computational power in the last fifteen years have enabled the prediction of phonon properties with high resolution and fidelity. Notably, the use of...

    https://nanohub.org/resources/25465

  2. Tutorial 3: Materials Simulation by First-Principles Density Functional Theory

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

    This two-part lecture will provide an introduction to first-principles density functional theory based methods for simulation of materials, with a focus on determination of interatomic force...

    https://nanohub.org/resources/9716