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

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Materials Cloud is now a recommended repository of Nature Research’s Scientific Data

👤 🕔 September 6, 2018 Comments Off on Materials Cloud is now a recommended repository of Nature Research’s Scientific Data

We are very pleased to announce a collaboration between Materials Cloud and the Nature Research data journal Scientific Data.

Materials Cloud is an Open Science Platform offering educational, research, and archiving tools; simulation software and services; and curated and raw data. It is a non-profit service, developed and supported by the Swiss NCCR MARVELand the European H2020 MaX Centre of Excellence, as well as by a number of other partnersScientific Data is an open access journal focused on a new article type, the ‘Data Descriptor’, which has been specifically designed to publish peer-reviewed research data in an accessible way, so as to facilitate its interpretation and reuse.

Publishing Data Descriptors enables data producers and curators to gain appropriate credit for their work, whilst also promoting reproducible research. The main goals of this journal are tightly aligned with that of Materials Cloud, focusing on making the data publicly accessible and encouraging re-use.

Today, Materials Cloud joins a wide range of data repositories, representing research data from across the entire scientific spectrum. Materials Cloud has been approved by Scientific Data as providing stable archiving and long-term preservation of materials science datasets. From today, researchers now have the opportunity to deposit materials science data to Materials Cloud, whilst submitting a Data Descriptor to Scientific Data. Upon publication, Materials Cloud will ensure the data is made freely accessible and preserved for the long term benefit of the research community.

We’re delighted to be working with Springer Nature on this open initiative. We invite the materials science community to share their data by submitting it to Materials Cloud, gain credit for their data by submitting a Data Descriptor to Scientific Data, and contribute to this exciting open data effort.

Learn about the benefits of publishing with Scientific Data and how to publish.

Have a question? Please get in touch with the Scientific Data editorial team.