AiiDA
Automated Interactive Infrastructure and Database for Computational Science

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

Posts

MaX Hackathon, July 2018, Barcelona

👤 🕔 June 7, 2018 Comments Off on MaX Hackathon, July 2018, Barcelona

Registration is now open for the H2020 MaX #Hackathon in Barcelona, July 16-20, 2018.

Information and registration at the following link: http://www.max-centre.eu/max-hackathon/

The hackathon will be an informal brain-storming environment with practical coding sessions on the MaX Centre of Excellence flagship codes (including AiiDA and its plugins, Quantum ESPRESSO, YAMBO, FLEUR, Siesta).

MaX Hackathon, July 16-20 2018, Barcelona (Spain)