Software Open Access

MAterials Simulation Toolkit (MAST) version 1.1.0

MAST Development Team

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.
Files (42.6 MB)
Name Size
MAST-v.1.1.0-coracle.tar.gz md5:41c26b2101ab9c1bfe7b6c6f6c54d8ad 20.7 MB Download md5:428fb37f2614928cd739395bd14e3d24 21.9 MB Download


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