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aflow.org: A web ecosystem of databases, software and tools

Academic Article
Publication Date:
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 [1], 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.
Iris type:
01.01 Articolo in rivista
Keywords:
Autonomous materials science; Materials genome initiative; aflow; Computational ecosystems; Online tools; Database; Ab initio
List of contributors:
Calzolari, Arrigo
Authors of the University:
CALZOLARI ARRIGO
Handle:
https://iris.cnr.it/handle/20.500.14243/464364
Published in:
COMPUTATIONAL MATERIALS SCIENCE
Journal
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URL

https://www.sciencedirect.com/science/article/pii/S0927025622005195?pes=vor#d1e3529
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