Published September 29, 2014 | Version v1
Software Open

MAterials Simulation Toolkit (MAST) version 1.1.0

  • 1. University of Wisconsin-Madison, Computational Materials Group


The MAterials Simulation Toolkit (MAST) is an automated workflow manager and post-processing tool.

MAST focuses on diffusion and defect workflows that use density functional theory. It interfaces primarily with the Vienna Ab-initio Simulation Package (VASP).

This is the release used in the TTMS demos,

See our documentation at

All inquiries should be directed to Dane Morgan at

Lead developer:  Tam Mayeshiba

Active team for this version:  Tam Mayeshiba, Glen Jenness, Kumaresh Visakan Murugan, Henry Wu, Amy Kaczmarowski, Dane Morgan

Past team (major contributors): Thomas Angsten

Past team (minor contributors): Nada Alameddine, Jihad Naja, Hyunwoo Kim, Parker Sear



MAST is developed with support from the National Science Foundation under the Software Infrastructure for Sustained Innovation, Scientific Software Integration program, award number 1148011.


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