If you use AiiDA please cite:
AiiDA 1.x
AiiDA 0.x
Features
The AiiDA framework is released under the permissive MIT open-source license, making it suitable for use in both in academic and commercial settings. AiiDA is developed publicly on the […]
Flexibility is a key requirement in order to match the diversity of scientific challenges in the computational physics, chemistry and material science communities. For this reason, AiiDA was […]
Abstracting the interaction with remote compute resources is key for reducing the time spent on fixing typos and studying the documentation of your job scheduler and increasing time […]
One of the fundamental tasks in modern computational materials science is to automate complex numerical procedures, involving multi-step procedures and integrating different simulation softwares. In AiiDA, workflow authors […]
Keeping track of data provenance means being able to reconstruct the complete history of each calculation or scientific result, including all steps that lead up to it and all parameters […]
While AiiDA does not enforce publication of any resources, AiiDA aims to make Open Science easy and provides numerous ways of sharing data, knowledge and capabilities: AiiDA users can export their […]