Title: MAterials Simulation Toolkit (MAST) version 1.2.9.4

Type Software MAST Development Team (2014): MAterials Simulation Toolkit (MAST) version 1.2.9.4. Zenodo. Software. https://zenodo.org/record/11917

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).

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, 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

More information

• DOI: 10.5281/zenodo.11917

Subjects

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

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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