- Accelrys CASTEP
- American Physical Society
- Collaborative Computational Project for the Study of the Electronic Structure of Condensed Matter
- DoD-Planewave: A General Scalable Density Functional Code
- European Centre for Atomic and Molecular Computations
- IBM STM Image Gallery
- Los Alamos National Lab Preprint ArXiv
- Nanotube site
- NIST - Atomic Reference Data for Electronic Structure Calculations
- Psi-k Electronic Structure Calculations
- Spanish Initiative for Electronic Simulations with Thousands of Atoms
- UIUC Electronic Structure Group
- Vienna Ab-initio Simulation Package
- Wein2k DFT Code