Software Open Access

MAterials Simulation Toolkit (MAST) version

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).

See our documentation at

All inquiries should be directed to Dane Morgan at

Lead developer:  Tam Mayeshiba

Active team for this version:  Tam Mayeshiba, Henry Wu, Zhewen Song, Wei Xie, Dane Morgan

Past team (major contributors): Glen Jenness, Kumaresh Visakan Murugan, Amy Kaczmarowski, Thomas Angsten

Past team (minor contributors): Nada Alameddine, Jihad Naja, Leland Barnard, Jie Deng, Hyunwoo Kim, Saswati De, Chandana Hosamane Kabbali, Parker Sear, Jesus Chavez

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 (48.7 MB)
Name Size
MAST-v. md5:080ce594b1bcdd510bacdb328cda872e 23.9 MB Download md5:898eb8790f86420340368816115a41fd 24.8 MB Download


Cite as