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AiiDA

swMATH ID: 27272
Software Authors: Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky
Description: 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.
Homepage: http://www.aiida.net/
Keywords: arXiv_physics.comp-ph; arXiv_cond-mat.mtrl-sci; arXiv_cs.SE; open access; high-throughput; materials database; scientific workflow; directed acyclic graph; provenance; reproducibility
Related Software: FireWorks; AFLOW; pymatgen; Python; Quantum Espresso; Atomate; ASE; MyQueue; Slurm; Spglib; ASR; Django; VASP; GPAW; Phonopy; C2DB; PyPI; PyProcar; IFermi; PyVista
Cited in: 4 Documents

Standard Articles

1 Publication describing the Software Year
AiiDA: Automated Interactive Infrastructure and Database for Computational Science arXiv
Giovanni Pizzi, Andrea Cepellotti, Riccardo Sabatini, Nicola Marzari, Boris Kozinsky
2015

Citations by Year