AFLOW

AFLOW is a framework designed to automate high-throughput calculations for materials discovery, primarily developed by Curtarolo Materials Lab at Duke University. It autonomously executes density functional theory (DFT) calculations, enabling comprehensive analysis of materials’ crystal structures, electronic states, thermal, and mechanical properties. The AFLOW database contains millions of materials data entries, which researchers can access via the website or REST API. Provided as open-source software, it is available on Linux, macOS, and Windows platforms, and users can learn its applications through seminars and AFLOW Schools.