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DFT overview: Sandia Presentations

Ann E Mattsson Thomas R Mattsson James Larentzos
Anatole von Lilienfeld

This page features presentations on DFT and related topics given by Sandians.

Ann E Mattsson:

• Subsystem functionals in density-functional theory and related topics
  
• Basis sets and Hamiltonians
  Comments:
  This is a presentation from ASCS2006.
  
• Fundaments of the RSPt code
  Comments:
  This is a presentation from the 2008 International Workshop on RSPt and the Full Potential Linear Muffin-Tin Orbital Method..
  

Thomas R Mattsson:

• Extreme States of Matter and First-Principles Simulations.
  Comments:
  The same presentation as a movie (does support animations).
  

James Larentzos:

• Structural and Vibrational Properties of Clay Minerals from Classical and ab initio Molecular Dynamics Simulations.
  Comments:
  The movies of the vibrational modes for Slide 8, Slide 9, and Slide 10.

Anatole von Lilienfeld:

• Multiscale schemes for the predictive description and virtual engineering of materials.
  Comments: