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Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

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Description scholarly article by Kiran Mathew et al published November 2017 in Computational Materials Science
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author: Jeffrey Neaton  Brandon Bocklund  Zi-Kui Liu  Shyue Ping Ong  Anubhav Jain  Kristin A. Persson 

Publication date November 2017
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