KAUST has unique computational facilities allowing us to perform intense numerical simulations. This is particularly important to treat realistic systems possessing many orbitals, to accurately track the time-evolution of complex dynamical behavior or to investigate the impact of disorder and defects. 

To support such daring computational endeavor, two main facilities are available:

Shaheen II is a Cray XC40 that delivers over 7.2 Pflop/s of theoretical peak performance. With 5.536 Pflop/s of sustained LINPACK performance, Shaheen II was named the tenth most powerful supercomputer in the world in June 2016.
The KAUST Dragon Cluster consists of 15,232 compute cores, 232 processing nodes with 128 GB per node, four AMD16-core 2.3GHz AMD 6376 processors per node, 64 cores per node and six large memory nodes with 512GB of memory per node. The total storage capacity of the system is 0.5 petabytes.