Tags: computational material science

Online Presentations (1-2 of 2)

  1. Tutorial 3b: Materials Simulation by First-Principles Density Functional Theory II

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

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

    14 Sep 2010 | | 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 vibrational spectra of nano-structures and extended periodic materials.Outline:Phonons, soft...