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MaX newsletter issue #4 (No replies)

marri
7 months ago
marri 7 months ago

The issue #4 of the MaX (Materials Design at the Exascale) newsletter is now ready and accessible. In this number we mainly focus on:

-Exciton insulator phase in carbon nanotubes. Electronic and optical properties of carbon nanotubes are investigated under the presence of an external magnetic field using the MaX flagship code Yambo.

-Advanced capabilities for materials modelling with Quantum ESPRESSO. A new paper documenting recent advances in the MaX flagship code Quantum ESPRESSO is presented.

-A new workflow for the calculation of thermal properties of nanofluids.  A novel protocol developed by the MaX ICN2 team is introduced.

-Computational protocols for friction and tribochemistry. A new computational protocol to calculate adhesion and shear strength in a high throughput way is now available.

 

You can also read of recent activities concerning  MaX  flagship codes and MaX researchers as well as  about  upcoming MaX events.

Details can be found in the MaX Newsletter

Visit this link to subscribe.

The MaX Team




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Ab initio (from electronic structure) calculation of complex processes in materials