Software "program for simulation of nanostructures (Ring)". Certificate of state registration of computer programs number 2010612881. This product is registered in the registry of the computer programs 28.04.2010 Authors: O.E. Glukhova, O.A Terent'ev.
SCS RING is a software tool that has a number of functions that allows us to simulate different types of carbon nanostructures (graphene, nanotubes, fullerenes and their modifications). This software package allows us to investigate the mechanical and electronic properties of nanostructures by using a set of computer simulation methods such as quantum chemistry, molecular mechanics and molecular dynamics. The occurrence of various defects in the atomic frame of nanocluster (violation of the hexagonal lattice, cleavage of bonds, the substitution of carbon atoms, the adsorption of various atoms and molecules) can be modeled by the specified software package. Depending on the atomic structure of the investigated object the realized within the SCS RING computer simulation methods can be modified by selecting the appropriate coefficients and parameters, extending thereby the limits of applicability of the package. The software package has an easy interface and favorably differs from similar packages (GAMESS, HyperChem) by ability to connect new software modules that provides greater flexibility of software architecture of the complex.
