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

Publication ,  Journal Article
Esters, M; Oses, C; Divilov, S; Eckert, H; Friedrich, R; Hicks, D; Mehl, MJ; Rose, F; Smolyanyuk, A; Calzolari, A; Campilongo, X; Toher, C ...
Published in: Computational Materials Science
January 5, 2023

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.

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Published In

Computational Materials Science

DOI

ISSN

0927-0256

Publication Date

January 5, 2023

Volume

216

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4016 Materials engineering
  • 0912 Materials Engineering
  • 0205 Optical Physics
  • 0204 Condensed Matter Physics
 

Citation

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Esters, M., Oses, C., Divilov, S., Eckert, H., Friedrich, R., Hicks, D., … Curtarolo, S. (2023). aflow.org: A web ecosystem of databases, software and tools. Computational Materials Science, 216. https://doi.org/10.1016/j.commatsci.2022.111808
Esters, M., C. Oses, S. Divilov, H. Eckert, R. Friedrich, D. Hicks, M. J. Mehl, et al. “aflow.org: A web ecosystem of databases, software and tools.” Computational Materials Science 216 (January 5, 2023). https://doi.org/10.1016/j.commatsci.2022.111808.
Esters M, Oses C, Divilov S, Eckert H, Friedrich R, Hicks D, et al. aflow.org: A web ecosystem of databases, software and tools. Computational Materials Science. 2023 Jan 5;216.
Esters, M., et al. “aflow.org: A web ecosystem of databases, software and tools.” Computational Materials Science, vol. 216, Jan. 2023. Scopus, doi:10.1016/j.commatsci.2022.111808.
Esters M, Oses C, Divilov S, Eckert H, Friedrich R, Hicks D, Mehl MJ, Rose F, Smolyanyuk A, Calzolari A, Campilongo X, Toher C, Curtarolo S. aflow.org: A web ecosystem of databases, software and tools. Computational Materials Science. 2023 Jan 5;216.
Journal cover image

Published In

Computational Materials Science

DOI

ISSN

0927-0256

Publication Date

January 5, 2023

Volume

216

Related Subject Headings

  • Materials
  • 5104 Condensed matter physics
  • 4016 Materials engineering
  • 0912 Materials Engineering
  • 0205 Optical Physics
  • 0204 Condensed Matter Physics