期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 216, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.commatsci.2022.111808
关键词
Autonomous materials science; Materials genome initiative; aflow; Computational ecosystems; Online tools; Database; Ab initio
To support computational and experimental research, it is crucial to develop platforms that allow easy data access and provide tools for data generation and analysis, considering the diverse needs and experience levels of users. The FAIR principles offer a framework that promotes these efforts. This article presents aflow.org, a web ecosystem that provides FAIR-compliant access to AFLOW databases. It offers graphical and programmatic retrieval methods to ensure accessibility for all users, as well as applications of important features of the AFLOW software for users' own calculations. Outreach activities to provide AFLOW tutorials and materials science education to a global and diverse audience will also be discussed.
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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