Sökning: "Jie Fu"
Hittade 1 avhandling innehållade orden Jie Fu.
1. Developing semi-empirical ab initio based potentials in materials modeling
Sammanfattning : Ab initiocalculation based on density function theory (DFT) is an accu-rate and efficient method for modelling material properties. It is performedby solving the Shrödinger equations with a few assumptions to obtain thephysical properties of the system. It is very computational demanding whendealing with large systems or long-time simulations. LÄS MER
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