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


New AiiDA tutorial in Lausanne, May 2017

👤 🕔 January 9, 2017 Comments Off on New AiiDA tutorial in Lausanne, May 2017

The second edition of the MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA” will take place on May 29-31, 2017 at EPFL (Lausanne, Switzerland), targeted at students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA platform.

The program includes a tutorial on the AiiDA code, and invited highlight talks from experts in the field of high-throughput computations (Prof. T. Bligaard, Stanford University; Prof. M. Fornari, Central Michigan University; Prof. C. Pickard, University of Cambridge; Prof. S. Sanvito, Trinity College Dublin).

Registration is open until Feb 26, 2017. The registration link, requirements that must be met by the applicants, and additional information can be found here:

Thanks to sponsorship from MARVEL/Psi-k/MaX, we can provide financial support for the lodging expenses of a limited number of accepted participants. All other expenses (travel, food, …) must be covered by the participants themselves. Additional participants can be accepted up to the room capacity, but their expenses will not be covered.