• Citations Per Year
Learn More
The electronic structure of an MgO (001) surface with aggregated oxygen vacancies at the surface was investigated by using a density-functional embedded-cluster method using Mg45Ox (x = 39-45) clusters and the B3LYP/CEP-121G level of calculation. The investigation found that the distribution of energy levels corresponding to oxygen-vacancy states strongly(More)
The current technology of parallel and distributed systems allows users to exploit a variety of resources across networks. However, the support provided is often insufficient for computational scientists to simulate complicated real-world scenarios in which different kinds of scientific applications need to be combined to perform high fidelity simulations.(More)
  • 1