Posts tagged article

Swiss consortium wins funding to establish ORD practices leveraging AiiDA and openBIS

A consortium led by Dr. Giovanni Pizzi (project leader of NCCR MARVEL’s Pillar 3, “Digital Infrastructure of Open Simulations and Data,” and Group leader of the “Materials Software and Data” group at the Paul Scherrer Institute PSI), including also researchers from Empa and ETH Zurich, has won funding of almost CHF1.3 million for a 3-year project funded under the “ORD-R Establish” initiative of the ETH Board.

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AiiDA features in Nature Reviews Physics “Tools of the Trade”

To mark the release of AiiDA v2.0, it was presented as a “Tool of the Trade” in Nature Reviews Physics. It gives a high-level overview of the developments in AiiDA itself, but also provides an insight in the ever growing ecosystem surrounding it. The plugin registry shows the activity of the user community that is starting to include industry as well as academia. This community is what makes collaborative projects, such as the AiiDA common workflows for example, possible.

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AiiDA common workflows paper published

The paper “Common workflows for computing material properties using different quantum engines” was published today in npj Computational Materials. A team of AiiDA plugin developers, led by researchers in NCCR MARVEL and in the MaX CoE, have developed common interfaces for workflows that automatically compute material properties, and implemented them with 11 very popular DFT simulation codes. Also thanks to the use of the AiiDA workflow engine, they guarantee reproducibility of the simulations, simplify interoperability and cross-verification, and open up the use of quantum engines to a wider range of researchers.

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AiiDAlab paper published

The paper providing comprehensive information on the architecture and design philosophy of the AiiDAlab web platform was published:

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Paper describing AiiDA’s workflow engine published

The paper describing the details of AiiDA’s workflow engine has been published today: M. Uhrin et al, Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows, Comp. Mat. Sci. 187, 110086 (2021)

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Paper describing AiiDA’s workflow engine published

The paper describing the details of AiiDA’s workflow engine has been published today:

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AiiDA and Materials Cloud papers published in Nature’s Scientific Data

The new paper on AiiDA (describing all the work happened in the past 4+ years) and the paper describing the Materials Cloud (an Open Science Platform designed to enable the seamless sharing of resources in computational materials science) have been published on the Nature’s journal Scientific Data.

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Pre-prints of upcoming AiiDA & Materials Cloud papers now available

After five years of continued development since the first AiiDA paper it was time to sit down and recap how AiiDA has evolved. You can read a pre-print of the upcoming paper on AiiDA 1.0 at Huber, S.P. et al., arXiv:2003.12476 (2020).

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AiiDA documentation available in Chinese

Thanks to tireless volunteer efforts by Jusong Yu of South China University of Technology and Jianxing Huang, Yunpei Liu and Jinfang Xiong of Xiamen University, the aiida-core documentation is now available in Chinese.

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Nature Nanotechnology March cover features a high-throughput study on novel 2D materials performed using AiiDA

The March 2018 issue of Nature Nanotechnology features a paper by N. Mounet and coworkers who have used AiiDA to identify close to 2000 well-known inorganic compounds that may be exfoliated into novel 2D materials and compute, for a large subset of over 250 of them, their electronic, vibrational, magnetic and topological properties.

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New paper on the integration of AiiDA with the TCOD database

A new paper describing the integration of AiiDA with the TCOD database is now online. The implementation is already part of AiiDA!

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AiiDA on the cover of the Comp. Mat. Sci. journal

Starting this January, AiiDA graphs will be on the cover image of Computational Materials Science for the next series of issues (picture on the left).

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The AiiDA paper is now online!

The AiiDA paper has now been published online! The full reference is:

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Paper on AiiDA available on arXiv:1504.01163

The full paper on AiiDA is now available on the arXiv (1504:01163).

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