AiiDA Team
@aiidateam
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Joined July 2014
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
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 👉
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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!
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Materials Cloud has been selected as one of the three Open Science Projects featured by @EPFLOpenScience You can check the video here:
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Today we announce the launch of our new communication platform: Join us with all your questions, discussions, and requests for support. Our developers and community are looking forward to be able to help out!
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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: Deadline: July 30, 2023
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Check the Microsoft webinar today, where they introduce their platform Azure Quantum Elements - AiiDA is tightly integrated in it!
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@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
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RT @cecamEvents: We are already on the 4th day of the Flagship workshop "Open Databases Integration for Materials Design" here in CECAM-HQ!…
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AiiDA appears in the "Tools of the Trade" of Nature Reviews Physics ( #MARVEL_NCCR @nccr_marvel #MaX_CoE @max_center2
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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: #MARVEL_NCCR @nccr_marvel
#MaX_CoE @max_center2
@QuantumESPRESSO
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RT @nccr_marvel: Congrats to the #MaterialsCloud Archive team on the 500th submission!! The 1st 100 records took 20 months, the last 100…
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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: @nccr_marvel @BIGMAP_EU
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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!
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Last week (6-10 Dec 2021) we had a coding week for AiiDA, in Leysin (. 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
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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
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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:
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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), @max_center2 @CH_universities @EPFLOpenScience
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.: @max_center2
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RT @nccr_marvel: Common workflows for computing material properties using different codes can boost reproducibility, simplify interoperabil…
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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: Tool: @nccr_marvel @max_center2 @CH_universities #OSSCAR
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The registration for the AiiDA virtual tutorial has been extended until June 17th (23:59 CEST). Don't miss your chance! More information: @max_center2 @BIGMAP_EU @nccr_marvel @intersect_eu @QuantumESPRESSO @CH_universities
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