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aflow.org: A Web Ecosystem of Databases, Software and Tools

Authors :
Esters, Marco
Oses, Corey
Divilov, Simon
Eckert, Hagen
Friedrich, Rico
Hicks, David
Mehl, Michael J.
Rose, Frisco
Smolyanyuk, Andriy
Calzolari, Arrigo
Campilongo, Xiomara
Toher, Cormac
Curtarolo, Stefano
Publication Year :
2022

Abstract

To enable materials databases supporting computational and experimental research, it is critical to develop platforms that both facilitate access to the data and provide the tools used to generate/analyze it - all while considering the diversity of users' experience levels and usage needs. The recently formulated FAIR principles (Findable, Accessible, Interoperable, and Reusable) establish a common framework to aid these efforts. This article describes aflow_org, a web ecosystem developed to provide FAIR - compliant access to the AFLOW databases. Graphical and programmatic retrieval methods are offered, ensuring accessibility for all experience levels and data needs. aflow_org goes beyond data-access by providing applications to important features of the AFLOW software, assisting users in their own calculations without the need to install the entire high-throughput framework. Outreach commitments to provide AFLOW tutorials and materials science education to a global and diverse audiences will also be presented.<br />Comment: 32 pages, 8 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2207.09842
Document Type :
Working Paper
Full Text :
https://doi.org/10.1016/j.commatsci.2022.111808