Alexander Yu. Gornov, Anton S. Anikin, Pavel S. Sorokovikov, Tatyana S. Zarodnyuk

Matrosov Institute for System Dynamics and Control Theory Siberian Branch of the Russian Academy of Sciences

The paper deals with specialized computing technology and algorithms used for finding lowpotential atomic-molecular clusters. The performed computational experiments demonstrated a rather high competitiveness of the new algorithms in comparison with the classical methods for the considerable functions. Using the developed software, the applied problem of molecular docking was solved. Using the developed software package, record results for optimization of atomic-molecular Morse clusters of large dimensions have been obtained

: atomic-molecular cluster, global optimization problem, non-convex function