Genetic algorithm and exact diagonalization approach for molecular nanomagnets modelling

Abstract

We combined the genetic algorithm search procedure and exact diagonalization method to obtain the fitting system with two-level parallelism and optimally balanced workload which was implemented in the HPC environment. Applying the system to the experimental magnetic susceptibility data of Cr8Ni molecule we obtained the non-uniform exchange couplings parameters for more general models and we achieved not only better agreement with experiment but we also demonstrated that the values known in literature are systematically overestimated.