  The MAterials Simulation Toolkit (MAST) is a workflow manager and
post-processing tool for ab initio defect and diffusion workflows. MAST
codifies research knowledge and best practices for such workflows, and allows
for the generation and management of easily modified and reproducible
workflows, where data is stored along with workflow information for data
provenance tracking. MAST is open-source and available for download (see PDF
for links).
