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 Cr\(_8\)Ni 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.
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Acknowledgments
The calculations were performed on computer facilities granted by PSNC (Poznań, Poland) as well as within DECI programme by the PRACE-3IP (FP7/2007–2013) under grant agreement no RI-312763 in Nicosia (Cyprus). Support from the Polish MNiSW through the grant No. N519 579138 is also acknowledged.
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Antkowiak, M., Kucharski, Ł., Kamieniarz, G. (2016). Genetic Algorithm and Exact Diagonalization Approach for Molecular Nanomagnets Modelling. In: Wyrzykowski, R., Deelman, E., Dongarra, J., Karczewski, K., Kitowski, J., Wiatr, K. (eds) Parallel Processing and Applied Mathematics. Lecture Notes in Computer Science(), vol 9574. Springer, Cham. https://doi.org/10.1007/978-3-319-32152-3_29
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