AiiDA

AiiDA (Automated Interactive Infrastructure and Database for Computational Science) is a software platform that helps scientists manage, automate, and track complex computational research. It enables researchers to run simulations, store results securely, and keep detailed records of their workflows, ensuring reproducibility and data integrity. By automating tasks and maintaining an organized database, AiiDA streamlines scientific investigations in fields like materials science and chemistry, making it easier to share and verify findings while fostering collaborative research.