English

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

Materials Science 2024-01-17 v3 Databases

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.

Keywords

Cite

@article{arxiv.2207.09842,
  title  = {aflow.org: A Web Ecosystem of Databases, Software and Tools},
  author = {Marco Esters and Corey Oses and Simon Divilov and Hagen Eckert and Rico Friedrich and David Hicks and Michael J. Mehl and Frisco Rose and Andriy Smolyanyuk and Arrigo Calzolari and Xiomara Campilongo and Cormac Toher and Stefano Curtarolo},
  journal= {arXiv preprint arXiv:2207.09842},
  year   = {2024}
}

Comments

32 pages, 8 figures

R2 v1 2026-06-25T01:04:46.405Z