Parallel Algorithm Development for Semiconductor Simulations

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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.