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

Social media

Twitter feed

AiiDA Team's Twitter avatar
AiiDA Team
@aiidateam

The latest version of AiiDA 0.11.0 has been released! t.co/FDSUIwuUCN #MARVEL #MaX @max_center2 @QuantumESPRESSO

AiiDA Team's Twitter avatar
AiiDA Team
@aiidateam

Submit your research to the PASC18 @PASC_Conference t.co/YKNQcKRnj1

MaX CoE's Twitter avatar
MaX CoE
@max_center2

Version 6.2.1 of @QuantumESPRESSO is released. For details and download have a look #MaX_CoE #coding #materials t.co/cT6ZXyHvaU

Retweeted by AiiDA Team

Facebook feed

1 month ago
AiiDA – New release AiiDA 0.10.0

The latest version of AiiDA 0.10.0 has been released! http://bit.ly/2mJ0IGv #MARVEL #MaX @max_center2 @QuantumESPRESSO

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 ... See more

LIKE
LOVE
HAHA
WOW
SAD
ANGRY
2 months ago
A posteriori metadata from automated provenance tracking: integration of AiiDA and TCOD

A new paper describing the integration of AiiDA with the TCOD database is now online. The implementation is already part of AiiDA! This gives the possibility to researchers to have full FAIR ... See more

Journal of Cheminformatics is an open access journal publishing original peer-reviewed research in all aspects of cheminformatics and molecular modelling.

LIKE
LOVE
HAHA
WOW
SAD
ANGRY
2 months ago
AiiDA – Open position in the AiiDA team in collaboration with ChemAlive

New open position in the AiiDA team in collaboration with ChemAlive. Feel free to share!
http://www.aiida.net/news/open-position-2017-11-chemalive/

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 ... See more

LIKE
LOVE
HAHA
WOW
SAD
ANGRY
« 2 of 13 »