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Interim report on programming models solutions for exascale efficiency

Final report on the exascale workflow infrastructure and demonstrators

First report on exascale workflow infrastructure and demonstrators

Exascale workflow design

Second release of MAX software: report on lighthouse codes’ deployment at exascale

First release of MAX software: report on performed and planned refactoring

Strong magnetic proximity effect in van der Waals heterostructures driven by direct hybridization

We propose another class of magnetic proximity effects based on the spin-dependent hybridization...

MaX participates in the EuroHPC User Day

MaX presents its advances on the open-source software Quantum ESPRESSO at the 2023 EuroHPC User Day on 11 December 2023, in Brussels, Belgium.

Heat conductivity from energy-density fluctuations

E. Drigo, M. G. Izzo, and S. Baroni

A “gold standard” for computational materials science codes

Scientists from NCCR MARVEL led the most comprehensive verification effort so far on computer codes for materials simulations, providing their colleagues with a reference dataset and a set of guidelines for assessing and improving existing and future codes.