The AFLOW fleet for materials discovery
Handbook of Materials Modeling: Methods: Theory and Modeling, 2020•Springer
The traditional paradigm for materials discovery has been recently expanded to incorporate
substantial data-driven research. With the intent to accelerate the development and the
deployment of new technologies, the AFLOW Fleet for computational materials design
automates high-throughput first-principles calculations and provides tools for data
verification and dissemination for a broad community of users. AFLOW incorporates different
computational modules to robustly determine thermodynamic stability, electronic band …
substantial data-driven research. With the intent to accelerate the development and the
deployment of new technologies, the AFLOW Fleet for computational materials design
automates high-throughput first-principles calculations and provides tools for data
verification and dissemination for a broad community of users. AFLOW incorporates different
computational modules to robustly determine thermodynamic stability, electronic band …
Abstract
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data-driven research. With the intent to accelerate the development and the deployment of new technologies, the AFLOW Fleet for computational materials design automates high-throughput first-principles calculations and provides tools for data verification and dissemination for a broad community of users. AFLOW incorporates different computational modules to robustly determine thermodynamic stability, electronic band structures, vibrational dispersions, thermomechanical properties, and more. The AFLOW data repository is publicly accessible online at aflow.org, with more than 1.8 million materials entries and a panoply of queryable computed properties. Tools to programmatically search and process the data, as well as to perform online machine learning predictions, are also available.
Springer