Posts tagged article
- 24 November 2022
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.
- 18 May 2022
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.
- 19 August 2021
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.
- 16 December 2020
The paper providing comprehensive information on the architecture and design philosophy of the AiiDAlab web platform was published:
- 17 November 2020
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)
- 16 November 2020
The paper describing the details of AiiDA’s workflow engine has been published today:
- 10 September 2020
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.
- 30 March 2020
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).
- 05 September 2019
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.
Nature Nanotechnology March cover features a high-throughput study on novel 2D materials performed using AiiDA
- 06 March 2018
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.
- 17 November 2017
A new paper describing the integration of AiiDA with the TCOD database is now online. The implementation is already part of AiiDA!
- 16 January 2017
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).
- 01 October 2015
The AiiDA paper has now been published online! The full reference is: