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.