FPMD petascale project

Welcome to the petascale project at the University of California Davis.

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://eslab.ucdavis.edu/software/qbox.