If you use AiiDA please cite:
Main paper: S.P. Huber et al., Scientific Data 7, 300 (2020)
AiiDA engine: M. Uhrin et al., Comp. Mat. Sci. 187 (2021)
First paper, ADES model: G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016) (open access version)
We’ve published the report on the psi-k website: you can read the full text there!
Scientific Report on the workshop: “MARVEL/MaX/Psi-k Tutorial on high-throughput computations: general methods and applications using AiiDA”