General announcements

Any other relevant announcements (software codes, databases, websites, etc.)


The issue #4 of the MaX (No replies)

blackmarch103
6 months ago
blackmarch103 6 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.




Back to General announcements...

Leave a Reply

This site uses Akismet to reduce spam. Learn how your comment data is processed.

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