The AiiDA common workflows project provides computational workflows, implemented in AiiDA, to compute various material properties using any of the quantum engines that implement it. The distinguishing feature is that the interfaces of the AiiDA common workflows are uniform, independent of the quantum engine that is used underneath to perform the material property simulations. These common interfaces make it trivial to switch from quantum engine. In addition to the common interface, the workflows provide input generators that automatically define the required inputs for a given task and desired computational precision.
CoE: MaX
This website is created and maintained by the project FocusCoE. FocusCoE has received funding from the European Union’s Horizon 2020 research and innovation programme under the grant agreement Nº 823964.