AiiDA is a flexible and scalable informatics' infrastructure
to manage, preserve, and disseminate the simulations,
data, and workflows of modern-day computational science.
Able to store the full provenance of each object, and based on a tailored database
built for efficient data mining of heterogeneous results, AiiDA gives
the user the ability to interact seamlessly with any number of
remote HPC resources and codes,
thanks to its flexible plugin interface and workflow
engine for the automation of complex sequences of simulations.
Journal ref: G. Pizzi, A. Cepellotti, R. Sabatini, N. Marzari, and B. Kozinsky,
AiiDA: automated interactive infrastructure and database for
computational science, Comp. Mat. Sci. 111, 218-230 (2016)
Open access link: arXiv:1504.0116
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If you have done interesting work using #AiiDA or any of the other #MaX codes, this #MaX prize might be for you!… t.co/8IFETncYpn
#AiiDA (and #MARVEL_NCCR and #MaX_CoE projects) presented today at the TERATEC 2017 index.html… t.co/XULISoQXeZ
Report published for the last #MARVEL_NCCR/@max_center2/#PsiK high-throughput tutorial using #AiiDA: check it out! t.co/TytZnYdGzl