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.
- Phonons, soft modes
- First-principles Density Functional Theory
- Computational Materials Science
“Electronics from the Bottom Up” is an educational initiative designed to bring a new perspective to the field of nano device engineering. It is co-sponsored by the Intel Foundation
and the Network for Computational Nanotechnology
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