Discrete and Continuous Models and Applied Computational ScienceDiscrete and Continuous Models and Applied Computational Science2658-46702658-7149Peoples' Friendship University of Russia named after Patrice Lumumba (RUDN University)8615Research ArticleProcedure for Constructing Simplectic Numerical Schemes for Solving of Hamiltonian Systems of EquationsBatgerelBLaboratory of Information Technologies; The Mongolian University of Science and Technology 8th khoroo, Baga toiruu 34, Sukhbaatar district Ulaanbaatar, Mongolia, 14191batgerel@jinr.ruNikonovE GLaboratory of Information Technologiese.nikonov@jinr.rPuzyninI VLaboratory of Information Technologiesipuzynin@jinr.ruJoint Institute for Nuclear Research150120161415808092016Copyright © 2016,2016Numerical schemes which is used for solving of many-particle dynamics systems of equations can have restrictions on a step and an interval of integration because if its increase the numerical schemes became unstable and don’t conserve existing integrals of motion. As a result when we simulate many-particle system behavior on the sufficiently large time interval we should decrease an integration step which leads to considerableincreasing of computation quantity. In this paper a new procedure for constructing simplectic numerical schemes for solving of Hamiltonian systems of equations is proposed. A method for symmetrization of received simplectics numerical schemes is proposed too. Constructed by proposed in the paper procedure numerical schemes conserve energy of a system on the large interval of numerical integration for relatively large integration step incomparison with Verlet method which is usually used for solving of equations of motion in molecular dynamics. Results of numerical experiments are given in the paper. These results show main advantages of received symmetric simplectic numerical schemes of third order of accuracy for the integration step for the Hamiltonian systems of equations in comparison with numerical schemes of Verlet method of second order of accuracy.Hamiltonian systems of equationssimplectic difference schemesgenerating functionsmolecular dynamicsгамильтоновы системы уравненийсимплектические разностные схемыпроизводящие функциимолекулярная динамика