Multiscale Modeling

Developing experimentally-validated high-fidelity multiscale numerical models that enable exploration of a large design space in a cost effective manner is a computationally exhaustive exercise. Sophisticated numerical methodologies such as Molecular Simulation and CFD, used in the different projects of Theme 3, needs an equally sophisticated hardware in order shorten the execution time of the numerical experiments and allow for a full investigation of the different inputs related to the different processes under study.

CFD calculations and Part of the Molecular Dynamics (MD) simulations have been run on workstations and KU HPC. The computing power of CeCaS is continuously updating and increasing with  high-end Workstations that will increase the number of numerical experiments conducted for both MD and CFD.

    Some of the units under this category are:

Workstations currently used

  • Two Precision 5820 Tower (Intel Xeon w-2104 2.0 GHz)
  • Three Precision 7920 Tower (Intel Xeon Gold 6248 2.5 GHz)


  • CeCaS Center uses the Core Analytical Facilities available at Arzanah & ADRIC Buildings at SAN Campus, the core labs available at Masdar City and Main Campuses as well as the KU HPC.