1. PAOFLOW, A utility to construct and operate on ab initio Hamiltonians from the Projections of electronic wavefunctions on Atomic Orbital bases, including characterization of topological materials,
  2. AFLOWpi, A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
  3. AFLOWLIB.ORG, a distributed materials genome properties repository from high-throughput ab-initio calculation
  4. Quantum-ESPRESSO, an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
  5. WanT: an integrated approach to ab initio electronic transport
  6. Foundation.Quantum-ESPRESSO.org
  7. DOSQC 1.0: original package to compute quantum conductance in nanostructures. Please send an email to mbn-at-unt-dot-edu for consideration.
Tutorials and presentations:
  1. Intro to DFT - lectures
  2. The self-consistent cycle - lectures and exercises
  3. Structural optimization - lectures and exercises
  4. Phonons with liner response - lectures and exercises, - lectures and exercises
  5. Band post-processing and transport properties - lectures and exercises
  6. Optical properties - lectures and exercises