Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis

We present the Python Materials Genomics (pymatgen) library, a robust, open-source Python library for materials analysis. A key enabler in high-throughput computational materials science efforts is a robust set of software tools to perform initial setup for the calculations (e.g., generation of stru...

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Bibliographic Details
Main Authors: Ong, Shyue Ping (Contributor), Richards, William Davidson (Contributor), Jain, Anubhav (Author), Hautier, Geoffroy (Author), Kocher, Michael (Author), Cholia, Shreyas (Author), Gunter, Dan (Author), Chevrier, Vincent L. (Author), Persson, Kristin A. (Author), Ceder, Gerbrand (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering (Contributor)
Format: Article
Language:English
Published: Elsevier, 2016-03-30T16:55:07Z.
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