MAX - MAterials design at the eXascale (GA 101093374) is a Centre of excellence for HPC applications funded in the joint EuroHPC-Horizon Europe call. It develops and uses its lighthouse (quantum simulation) codes to enhance the understanding, predicting, and discovering of the properties and performance of materials, to address the HPC-ecosystem challenges, to leverage the opportunities arising from future exascale and post-exascale architectures, and to offer powerful paths to discovery and innovation serving both scientific and industrial applications.MAX involves active developers of the codes, researchers that are expanding and innovating in the algorithms and models as well as software engineers and support personnel for dissemination, training, code review and benchmarking, to provide a complete ecosystem as needed to achieve the scalability and reliability required by the challenges of the HPC-ecosystem evolution.In this endeavour, MaX will continue to collaborate with the complementary projects and the dedicated Coordination and Support Action (CSA), CASTIEL 2 (Grant No 101102047), by developing common scientific activities, joint training and communication actions.Importantly, MaX will continue to play an active and leading role toward the optimal deployment and performance of codes on the EuroHPC machines, according to the plans and joint commitments that are being finalised with the coordination of CASTIEL 2.This deliverable provides an update and critical review of the work performed at Month 12, essentially confirming the initial plan (D 7.1, Month 6) and allowing for a more detailed definition of the implementation strategies.
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Jan Jona Javoršek
Luisa Neri
Nicola Spallanzani
Jožef Stefan Institute
Istituto Nanoscienze
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Javoršek et al. (Thu,) studied this question.
www.synapsesocial.com/papers/69ec5a4488ba6daa22dabe36 — DOI: https://doi.org/10.5281/zenodo.19707012
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