The MARVEL NCCR has recently published an article on how the Materials Cloud platform, based on AiiDA, can be useful to scientists and in particular to industry.
You can read the full article on the MARVEL NCCR website.
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
The NCCR MARVEL has published an interview to prof. Scott Auerbach, where he discusses his vision on why “what MARVEL is doing is a dream come true for researchers in the field”. In particular, he discussed the big advantages that AiiDA and Materials Cloud can give to researchers in the community.
You can read the full article here.
A new AiiDA release v0.12.0 is available! You can find more information at our download page.
This is a minor release with various bug fixes, improvements and the implementation of a caching mechanism. This mechanism allows AiiDA to skip calculations that have already been successfully completed before, for example when rerunning a workchain that crashed at a late stage. With this feature, especially during plugin development, a lot of valuable computer time can be saved. For more details on this new powerful feature of AiiDA, please refer to the documentation
A detailed overview of a all the changes can be found in the change log on GitHub.
The March 2018 issue of Nature Nanotechnology features a paper by N. Mounet and coworkers who have used AiiDA to identify close to 2000 well-known inorganic compounds that may be exfoliated into novel 2D materials and compute, for a large subset of over 250 of them, their electronic, vibrational, magnetic and topological properties.
Copyright: Image: Giovanni Pizzi, EPFL, Switzerland.
A feature story on AiiDA, its developments, features but also industry extensions can be found online at the MARVEL website