Theory, modeling and simulation as a predictive design tool widely in the reproduction and fabrication of dynamic molecules of " SWCNT nanotubes and SWCNTs " to produce electric current

Note: Theory, modeling and simulation are widely used as a predictive design tool in the reproduction and manufacturing of dynamic molecules of SWCNT nanotubes and SWCNTs.General methods capable of multi-scale/multi-phenomenon molecular simulations will be developed for the design of SWCNT and SWCNTs nanotubes and new nanoscale systems and tools. Dynamic nanomolecular simulations will help in various fields such as biosensors, filter design, as well as identifying the dynamics of complex systems of single-layer and multi-layer nanotubes .The aim of the simulation methodology in the molecular nanodynamics of nanotubes is to intervene in the arrangement of atoms or molecules and to use materials and systems with new abilities and new tasks, which are all the result of the specific multiplication of molecules and particles. Nano is a device with small dimensions and nano structure.Deterministic molecular dynamics simulation: is a method used to calculate the path of movement of atoms or molecules in multi-atom systems of more than ten atoms to several billion atoms.Monte Carlo simulation (Stochastic): It is a numerical method that tries to reach the final equilibrium state of the system by sampling the nanomolecular state space with importance. Based on probabilities, this method brings the configuration of the investigated system close to the minimum energy condition .Initio Ab molecular dynamics: Initio Ab molecular dynamics or quantum molecular dynamics performs the movement path of the atomic system by solving the Schrödinger equations and obtaining information on the subatomic scale.