MAX SW Applications
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Codes

The open-source MAX flagship codes implement state-of-the-art algorithms for quantum mechanical materials simulations, based on Density Functional Theory and beyond. Below you can find the main features of the codes, some details of their implementation, and information about the repositories. All the codes are now being ported to the heterogeneous (GPU-based) architectures. Recent updates of their status and evolution are being presented in a MaX webinar series.
 
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MaX Libraries
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Libraries

The open source, domain specific libraries developed during MAX are specific to the materials modelling, but also dedicated mathematical and system libraries have been implemented.

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Features and algorithms

MAX flagship codes have been strongly improved and partially renovate to fully exploit the potentalities offered by the forthcoming pre-exascale and exascale architecture. A list of the main novel features and algorithms released within MAX is here reported.

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MaX Workflows
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Workflows

AiiDA is built in a modular fashion that allows the support to any other simulation code via plugins. From the management of single runs to sophisticated workflows for the computation of advanced materials properties, here the main AiiDA plugins are described.

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