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arXiv · 2207.09842

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

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

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Marco Esters, Corey Oses, Simon Divilov, Hagen Eckert, Rico Friedrich, David Hicks, Michael J. Mehl, Frisco Rose, Andriy Smolyanyuk, Arrigo Calzolari, Xiomara Campilongo, Cormac Toher, Stefano Curtarolo. 2022-07-20. aflow.org: A Web Ecosystem of Databases, Software and Tools. https://doi.org/10.1016/j.commatsci.2022.111808

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