Parallel Algorithm Development for Semiconductor Simulations

我们有兴趣开发高效的并行算法， 计算材料科学 我们特别打算 继续进行半导体合金的研究， 广义格子气的Monte Carlo模拟框架 包括弹性自由度的模型。 这种材料 研究项目，这是有趣的， 对基础研究的看法，以及对 潜在的技术应用，应扩大，以便 为了研究表面重构， 薄膜和电子结构。 模拟程序， 目前已完全矢量化，应进行修改，以使 该算法适用于并行处理， “并行虚拟机”软件。

We are interested in developing efficient parallel algorithms for computational materials science. In particular, we intend to continue ongoing research on semiconductor alloys in the framework of Monte Carlo simulations of a generalized lattice gas model including elastic degrees of freedom. This materials research project, which is interesting both from the point of view of fundamental research, as well as with respect to potential technological applications, shall be extended in order to study surface reconstruction, the behavior of expitaxial films, and electronic structure. The simulation program, which presently is fully vectorized, shall be modified in order to make the algorithm suitable for parallel processing using the "parallel virtual machine" software.