Potential data table

We provide a table of atomic potentials for use in first-principles molecular dynamics simulations. Potentials are accessible in XML form for XML-aware software packages.

Reference data project

We are building a collection of reference data for validation and verification of first-principles simulation programs.

Qbox project

The Qbox distribution is available at http://qboxcode.org.

Simulation projects

We provide examples of Qbox simulations for selected simulation projects.