993 resultados para Quantum computing
Resumo:
The LURR theory is a new approach for earthquake prediction, which achieves good results in earthquake prediction within the China mainland and regions in America, Japan and Australia. However, the expansion of the prediction region leads to the refinement of its longitude and latitude, and the increase of the time period. This requires increasingly more computations, and the volume of data reaches the order of GB, which will be very difficult for a single CPU. In this paper, a new method was introduced to solve this problem. Adopting the technology of domain decomposition and parallelizing using MPI, we developed a new parallel tempo-spatial scanning program.
Resumo:
The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.