Description

Courses (1-1 of 1)

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

   Courses | 14 Sep 2010 | 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 constants and vibrational spectra of nano- structures and extended periodic materials.