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1. 

   Sheng Ying Yue

   https://nanohub.org/members/120281

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

   Online Presentations | 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...

3. How does one calculate the individual phonon dispersion curves from molecular dynamics simulation?

   Q&A|Closed | Responses: 2

   How does one calculate the phonon dispersion relations from the output of a molecular dynamics simuation?

   I have successfully calculated the complete phonon density of states using a...

   https://nanohub.org/answers/question/233