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, Richards, William Davidson, Jain, Anubhav, Hautier, Geoffroy, Kocher, Michael, Cholia, Shreyas, Gunter, Dan, Chevrier, Vincent L., Persson, Kristin A., Ceder, Gerbrand
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: Elsevier 2016
Online Access:http://hdl.handle.net/1721.1/101936
https://orcid.org/0000-0002-8126-5048

Internet

http://hdl.handle.net/1721.1/101936
https://orcid.org/0000-0002-8126-5048

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