AiiDA: an ecosystem to further develop, execute and share data around the world


AiiDA (Automated Interactive Infrastructure and Database for Computational Science) is one of H2020 Materials design at the exascale – Centre of Excellence (MaX’s CoE) results [2015 -2018] created in partnership with NCCR MARVEL. AiiDA is a flexible and scalable informatics’

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Pathways for EOSC-hub and MaX collaboration


EOSC-hub Week is back in its 2nd edition which will take place on 10-12 April 2019 at the Vienna House Diplomat in Prague, Czech Republic. This year, EOSC-hub Week 2019 brings together both present and future service providers and users

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COMDI 2018

International Workshop on Computational Design and Discovery of Novel Materials  SwissTech Convention Center, EPFL, Lausanne (Switzerland) 10-12 September 2018 This international workshop focuses on conceptual and methodological advances underlying the computational design and discovery of novel materials and aims at

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Computational Discovery in the 21st Century

Prof.  Nicola Marzari, leader of WP3 at MaX, gave a public talk at PASC 17 about “Computational Discovery in the 21st Century”. Inside HPC web page (here) presents the talk in which Prof. Marzari offered an interesting overview of computational materials

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MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA”

Second edition of the MARVEL/Psi-k/MaX “Tutorial on high-throughput computations: general methods and applications using AiiDA” @ EPFL (Lausanne, Switzerland) for students, postdocs and researchers interested in applying high-throughput computations in their research and interested in learning how to use the AiiDA

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Advanced Workshop on High-Performance & High-Throughput Materials Simulations using Quantum ESPRESSO

A  two-week Workshop in advanced techniques for large-scale materials science computer simulations is being organized by MaX and many main players in the field (ICTP,  Quantum ESPRESSO Foundation, CECAM, MARVEL, National Centre of Competence in Research, CECAM, eCAM, and Psi-k electronic-structure network). The

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