AiiDA (Automated Interactive Infrastructure and Database for computational science) is a Python materials’ informatics framework to manage, store, share, and disseminate the workload of high-throughput computational efforts, while providing an ecosystem for materials simulations where complex scientific workflows involving different codes and datasets can be seamlessly implemented, automated and shared.
CoE: MaX
The website is operated as part of the CASTIEL 2 project. This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 101102047. The JU receives support from the European Union‘s Digital Europe Programme and Germany, Italy, Spain, France, Belgium, Austria, Estonia.
