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Everything licensed and supported by KAUST IT, in one place. Whether you're looking for a research or scientific application, a productivity tool, or a program used by your team or department, if IT supports it at KAUST, you'll find it here.

Some titles can be installed directly on your KAUST device using Self Service+ (Mac) or Software Center (Windows) with no IT ticket needed. Others need a license request or IT approval. Click on any software title for access details.

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Quantum Espresso

Quantum Espresso

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.

It is based on density-functional theory, plane waves, and pseudopotentials.
Faculty/Researchers
Staff
Students

Linux installation instructions

Use modules to load the applications available in the scientific application stack.
Please contact IT Linux Support or open a ticket with the IT Help Desk to install a new version of this application.

Loading Quantum Espresso from the scientific application stack 

$ module load quantum-espresso
$ <execute quantum espresso commands>