Title: MAterials Simulation Toolkit (MAST) version 1.1.0

Type Software MAST Development Team (2014): MAterials Simulation Toolkit (MAST) version 1.1.0. Zenodo. Software. https://zenodo.org/record/11916

Author: MAST Development Team (University of Wisconsin-Madison, Computational Materials Group) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

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, https://sites.google.com/a/wisc.edu/2014-ttms-meeting/

See our documentation at https://pythonhosted.org/MAST

All inquiries should be directed to Dane Morgan at ddmorgan@wisc.edu

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

More information

• DOI: 10.5281/zenodo.11916

Subjects

• ab-initio, density functional theory, DFT, VASP, diffusion, defect, atomic, simulation, computational, materials, cmg

Dates

• Publication date: 2014
• Issued: September 29, 2014

Notes

Rights

• https://opensource.org/licenses/MIT MIT License
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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