AiiDA Team

[AiiDA Team @aiidateam]

Thanks to AiiDA, we could demonstrate a sustained 99.96% utilization for over 20 hours of the full supercomputer Alps (@cscsch's new near-exascale supercomputer), computing tens of thousands of compounds! You can read more in the @nccr_marvel highlight below

[NCCR-MARVEL @nccr_marvel]

How a team of #MARVEL scientists completed a computational marathon that showcased the power of Switzerland’s new #Alps supercomputer, and the efficiency of the #AiiDA computational materials science platform. Read more 👉 https://t.co/K0aX4tPCmI

[AiiDA Team @aiidateam]

AiiDA is being presented at the @EuroSciPy this week! Both talks and a tutorial, focusing on the new WorkGraph syntax to make writing workflows much easier. If you are at the conference, come to check it out!

[AiiDA Team @aiidateam]

Materials Cloud has been selected as one of the three Open Science Projects featured by @EPFLOpenScience https://t.co/YtRULescrS! You can check the video here: https://t.co/JYPtkkPmYr

[AiiDA Team @aiidateam]

Today we announce the launch of our new communication platform: https://t.co/xC5hZO0KpV
Join us with all your questions, discussions, and requests for support. Our developers and community are looking forward to be able to help out!

[AiiDA Team @aiidateam]

2 new post-doc/research software engineer positions open at @psich_en (Switzerland): join the @aiidateam to extend AiiDA's support for large data and next-generation HPC! Info on how to apply here: https://t.co/18Umyi5HY5
Deadline: July 30, 2023
https://t.co/A2a29g2jI8

[AiiDA Team @aiidateam]

Check the Microsoft webinar today, where they introduce their platform Azure Quantum Elements - AiiDA is tightly integrated in it!

[Matthias Troyer @MatthiasTroyer]

Join us tomorrow and learn more about today’s news and how we’re accelerating scientific discovery with Azure Quantum Elements. Dr. @nathanabaker along with @aiidateam and @Johnson_Matthey will share the details with @AmerChemSociety at 8:00 a.m. (PDT).
https://t.co/bcYfzHI368

[AiiDA Team @aiidateam]

@nccr_marvel-led consortium (with PSI, Empa and ETHZ) won 3-year funding on “Open and reproducible materials-science research” to establish, promote and facilitate FAIR ORD practices, leveraging AiiDA for simulations and openBIS for experiments https://t.co/Hwarhqu6Nm

[CECAM @cecamEvents]

We are already on the 4th day of the Flagship workshop "Open Databases Integration for Materials Design" here in CECAM-HQ!
Today, participants (online and on-site) are discussing about OPTIMADE #implementation. They will meet again tomorrow morning before leaving #Lausanne

[AiiDA Team @aiidateam]

AiiDA appears in the "Tools of the Trade" of Nature Reviews Physics (https://t.co/YGrnpENXCT)
#MARVEL_NCCR @nccr_marvel #MaX_CoE @max_center2

[AiiDA Team @aiidateam]

The brand new AiiDA 2.0 has been released! Improved performance in the storage capabilities and the import/export functionality, among others!

More information here: https://t.co/HBJVpVQrQE

#MARVEL_NCCR @nccr_marvel
#MaX_CoE @max_center2
@QuantumESPRESSO

[NCCR-MARVEL @nccr_marvel]

Congrats to the #MaterialsCloud Archive team on the 500th submission!!

The 1st 100 records took 20 months, the last 100 only 5, with new submissions coming in every day...
https://t.co/CO0veMNA75

@aiidateam @snsf_ch @OpenResearch_EU @GOFAIRofficial @max_center2 @BIGMAP_EU

[AiiDA Team @aiidateam]

Two open positions at @EPFL_en for postdocs/software engineers on coupling #MaterialsCloud Archive with simulations using #AiiDA and #AiiDAlab!
Deadline: March 20th, 2022.
Details and how to apply: https://t.co/Okt6FIh4Jn

@nccr_marvel @BIGMAP_EU

[AiiDA Team @aiidateam]

Learn how to compute many materials properties via Wannier functions at the Wannier 2022 Summer School, at ICTP (Trieste, Italy), 16-20 May 2022. Registration deadline: 15 Feb 2022. Will also explain how to automatically obtain Wannier functions via AiiDA! https://t.co/cTW1srkn7A

[AiiDA Team @aiidateam]

Last week (6-10 Dec 2021) we had a coding week for AiiDA, in Leysin (https://t.co/CN4e6vnNHa). Thanks to all the participants on-site and online. Looking forward to the next similar events in the future!
@nccr_marvel @max_center2 #Hackathon #developers #coding

[AiiDA Team @aiidateam]

Friday night was our hero run on LUMI-C! AiiDA orchestrating 55704 Quantum ESPRESSO calculations to optimize the geometry of 15324 inorganic compounds - record utilization of 196608 AMD Epyc cores.

#lumisupercomputer #lumieurohpc @nccr_marvel @max_center2 @QuantumESPRESSO

[AiiDA Team @aiidateam]

We're hiring a Materials Cloud Software Engineer/Web developer at EPFL!
Position renewable yearly up to 4 years. Applications should be submitted by Oct 31st, 2021.

All details at this link: https://t.co/YXrLQDF0qc

[AiiDA Team @aiidateam]

Check out our new paper on common AiiDA workflows for materials properties via 11 different quantum codes: identical input/output format and fully automatic parameter choice! npj Comput. Mater. 7, 136 (2021), https://t.co/0f4arOgQsN @max_center2 @CH_universities @EPFLOpenScience

[NCCR-MARVEL @nccr_marvel]

Common workflows for computing material properties using different codes can boost reproducibility, simplify interoperability and cross-verification, and open up their use to a wider range of researchers. More in @Nature_NPJ Comput. Mater.: https://t.co/p66Gy38ROm @max_center2

[NCCR-MARVEL @nccr_marvel]

Common workflows for computing material properties using different codes can boost reproducibility, simplify interoperability and cross-verification, and open up their use to a wider range of researchers. More in @Nature_NPJ Comput. Mater.: https://t.co/p66Gy38ROm @max_center2

[AiiDA Team @aiidateam]

The paper reviewing the theory behind the Materials Cloud tool to predict the low-frequency infrared and Raman modes of 2D materials is now published on ACS Nano: https://t.co/7i6YDSeheL Tool: https://t.co/kS94OGqwwG
@nccr_marvel @max_center2 @CH_universities #OSSCAR

[AiiDA Team @aiidateam]

The registration for the AiiDA virtual tutorial has been extended until June 17th (23:59 CEST). Don't miss your chance!

More information: https://t.co/1f2xTbnxCK

@max_center2 @BIGMAP_EU @nccr_marvel @intersect_eu @QuantumESPRESSO @CH_universities