1. Division of
Physical Sciences
and Engineering, King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi
Arabia
2. Division of Physical
Sciences
and Engineering and KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal 23955-6900,
Kingdom of Saudi Arabia
3. High-Performance
Computing Core
Facilities, King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi Arabia
4. Center for Research Computing, University of Notre Dame, Notre Dame, Indiana 46556,
United States