Posted in 2017
New AiiDA release 0.10.1
- 22 December 2017
A new AiiDA release (v0.10.1) is available! You can find more information at our download page!
- 05 December 2017
In order to make it easy for AiiDA users to give feedback and suggestions on the code to the developers, we have opened a feedback form.
Quantum Mobile virtual machine released (v. 17.11.0)
- 20 November 2017
We are releasing the first version of the Quantum Mobile Virtual Machine, supported by the MARVEL NCCR (http://marvel-nccr.ch) and the MaX H2020 Centre of Excellence (http://max-centre.eu).
New AiiDA release 0.10.0
- 20 November 2017
A new AiiDA release (v0.10.0) is available! You can find more information at our download page!
New paper on the integration of AiiDA with the TCOD database
- 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!
Open position in the AiiDA team in collaboration with ChemAlive
- 03 November 2017
An open position for a software engineer/data scientist is available at EPFL (Lausanne, Switzerland) in the group of Prof. Nicola Marzari and in synergy with the MARVEL NCCR (http://marvel-nccr.ch). The position is funded through a partnership with ChemAlive (http://www.chemalive.com), a company hosted at EPFL Innovation Park, and the Swiss Commission for Technology and Innovation, through a project grant.
Outcome of the AiiDA coding week - video
- 25 October 2017
A lot of nice things happened during the second AiiDA coding week - watch this video by the participants if you want to know more!
New AiiDA release 0.9.1
- 04 September 2017
A new AiiDA release (v0.9.1) is available! You can find more information at our download page!
MaX prize for flagship codes application
- 19 July 2017
MaX – Materials at the Exascale aims at enabling advancements in materials research via high-performance and high-throughput computing towards the exascale. Its activities are largely centered on frontier developments and applications of four MaX flagship codes, Quantum ESPRESSO, SIESTA, Fleur, Yambo, and the workflow manager, AiiDA.
Summary report of the AiiDA tutorial
- 21 June 2017
We have published a summary report of the AiiDA tutorial held at the end of the past month on the Psi-k website. Read the full story there!
New AiiDA tutorial (based on 0.9.0) released
- 15 June 2017
A new online tutorial distributed as a downloadable virtual machine is now available on our tutorials site.
New AiiDA release 0.9.0
- 15 June 2017
A new AiiDA release (0.9.0) is available! You can find more information at our download page!
Open position for a software engineer/web developer - MARVEL, EPFL, Switzerland
- 28 April 2017
An open position for a software engineer/web developer is available at EPFL (Lausanne, Switzerland) in the MARVEL NCCR (http://marvel-nccr.ch). Excellent candidates are sought with experience in the development of complex web architectures powered by cloud technologies, to support the development and deployment of the Materials Cloud (www.materialscloud.org), a web portal for computational materials science powered by AiiDA.
AiiDA demos available on Youtube!
- 26 April 2017
We have released a Youtube playlist collecting short demos of AiiDA (2 to 5 minutes each).
First AiiDA release 0.8.0
- 24 April 2017
A new AiiDA release (0.8.0) is available! You can find more information at our download page!
MaX User Portal ready
- 28 February 2017
Six services are now up and running on the MaX User Portal: access to the latest code releases and documentation, basic and advanced help-desk assistance, consultancy and training in computational materials research. The portal offers a single point of access for MaX flagship codes: Quantum ESPRESSO, Siesta, Fleur, Yambo, and the AiiDA scientific workflow system.
Report on AiiDA tutorial: 24-25 January 2017 at ICTP in Trieste, Italy.
- 27 January 2017
The end of January of 2017 saw the eighth hands-on tutorial for AiiDA within the “Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO” organised at and by ICTP in Trieste. The tutorial was kicked off by an introductory lecture by Giovanni Pizzi (EPFL), explaining the philosophy and architecture behind AiiDA, and how the ADES model facilitates and simplifies performing and sharing calculations, under the umbrella of complete data provenance. After the scene was set, the approximately 75 participants went to their workstations to start with the first of the hands-on sessions. A completely configured virtual machine was provided for each individual participant, to which they only had to login and they were on their way. The first session served to familiarize the users with Verdi, a command line interface which acts as the user’s tool to interact with AiiDA. With the tools in hand to put AiiDA to good use, the participants learned by example how a Quantum Espresso calculation can be easily launched as AiiDA takes care of a lot of the repetitive work behind the scenes.
Photos from the AiiDA tutorial at ICTP (Jan 2017)
- 25 January 2017
We’ve published some pictures from the AiiDA tutorial we just held at ICTP on our Facebook page. Check it out!
New AiiDA tutorial available for download
- 25 January 2017
We have just made available a downloadable version of the tutorial we just held in Trieste (that you can run locally in a VirtualBox machine, without the need to install AiiDA).
Report of the AiiDA tutorial of last year (June 2016) in Lausanne
- 19 January 2017
We’ve published the report on the psi-k website: you can read the full text there!
AiiDA on the cover of the Comp. Mat. Sci. journal
- 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).
New AiiDA tutorial in Lausanne, May 2017
- 09 January 2017
The second edition of the MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA” will take place on May 29-31, 2017 at EPFL (Lausanne, Switzerland), targeted at students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA platform.