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Creation of an XAS and EELS Spectroscopy Resource within the Materials Project using FEFF9

Published online by Cambridge University Press:  04 August 2017

Alan Dozier ,
Kristin Persson ,
Shyue Ping Ong ,
Kiran Mathew ,
Chen Zheng ,
Chi Chen ,
Joshua Kas ,
Fernando Vila  and
John Rehr
Alan Dozier
Affiliation:
NIOSH/CDC, Cincinnati, OH, USA
Kristin Persson
Affiliation:
Material Science and Engineering/UC, Berkeley, CA, USA
Shyue Ping Ong
Affiliation:
NanoEngineering/UC, San Diego, CA, USA
Kiran Mathew
Affiliation:
Material Science and Engineering/UC, Berkeley, CA, USA
Chen Zheng
Affiliation:
NanoEngineering/UC, San Diego, CA, USA
Chi Chen
Affiliation:
NanoEngineering/UC, San Diego, CA, USA
Joshua Kas
Affiliation:
Physics/University of Washington, Seattle, WA, USA
Fernando Vila
Affiliation:
Physics/University of Washington, Seattle, WA, USA
John Rehr
Affiliation:
Physics/University of Washington, Seattle, WA, USA

Abstract

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Type
Abstract
Information
Microscopy and Microanalysis , Volume 23 , Supplement S1: Proceedings of Microscopy & Microanalysis 2017 , July 2017 , pp. 208 - 209
Copyright
© Microscopy Society of America 2017 

References

[1] Ong, Shyue Ping, Shreyas, , Jain, Anubhav, et al Computational Materials Science. 97 2015). p. 209 www.materialsproject.org.CrossRefGoogle Scholar
[2] NSF Award #1640899.Google Scholar
[3] Rehr, J.J., Kas, J.J., Vila, F.D., et al, Phys. Chem. Phys. Chem. 12 2010). p. 5503.CrossRefGoogle Scholar
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[8] https://github.com/hackingmaterials/atomate.Google Scholar