RESEARCH PAPER · Computational Materials Science · 2017
Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows
Kiran Mathew, Joseph H. Montoya, Alireza Faghaninia, Shyam Dwarakanath, Muratahan Aykol, Hanmei Tang, Iek‐Heng Chu, Tess Smidt, Brandon J. Bocklund, Matthew K. Horton, John M. Dagdelen, Brandon M. Wood, Zi‐Kui Liu, Jeffrey B. Neaton, Shyue Ping Ong, Kristin Aslaug Persson, Anubhav Jain
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