Modeling of the Crystal Structure of Platinum Metal’s Complex Compounds by Using Parallel Computing Based on Genetic Algorithms and X-ray Diffraction Data

Abstract

Å3) has been determined by using the developed multipopulational parallel genetic algorithm (MPGA) and x-ray powder diffraction data. This paper presents the methodology and results of the structural analysis of these compounds obtained by application of the MPGA.

Multipopulation Genetic Algorithm for Determining Crystal Structures Using Powder Diffraction Data

“…This facilitates moving away from R-factor local minima, accelerates the accumulation of true atomic positions of a structure, and increases the probability of genetic algorithm convergence during the search for more complex structures [24]. An example of the practical solution of unknown structures using the MPGA was given in [25].…”