[Audio] Tutorial 3: Materials Simulation by First-Principles Density Functional Theory

Umesh V. Waghmare
  • 0.0（0則評分）
  • PODCAST

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.

集數

  1. 2010/09/14

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

    [Audio] Tutorial 3: Materials Simulation by First-Principles Density Functional Theory

  2. 2010/09/14

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

    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 modesFirst-principles Density Functional TheoryComputational Materials Science

  • 共 2 集

簡介

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.

資訊

「Nanohub.org」的更多內容