CALCULATION OF OPTICAL PROPERTIES OF SEMICONDUCTOR NANOCRYSTALS IN THE FRAMEWORK OF DENSITY FUNCTIONAL THEORY USING GPU PARALLEL PROGRAMMING
An effective parallel algorithm is proposed for calculating optical properties of many-electron systems based on the dynamic density functional method. The algorithm has been realized on a GPU cluster. It has been demonstrated that the algorithm can be used to determine the spectra of both isolated and interacting silicon nanocrystals (quantum dots).