Materials Studio is a powerful molecular simulation software. Chemists, researchers, and chemistry students can use this program to study a variety of molecular structures such as polymers (dendrimers, alloys, copolymers, homopolymers), nanostructures such as carbon nanotubes, nanomechanical equipment, types of compounds and inorganic crystals, organic structures and crystals. And … to simulate. Users can perform all of the mentioned structures in different molecular states to measure the electronic structure, to measure the static and dynamic structures. The program is capable of performing a variety of famous and important simulations, including quantum simulations including topics such as finding the optimal structure, finding transition states by DFT and Fock techniques.
At the molecular level, molecular dynamics and Monte Carlo dynamics can also be used for simulation. Other simulations such as DPD simulation, vapor-liquid and liquid-liquid equilibrium simulations can also be performed. An important feature of this program is its modular structure. All the simulations are done by different modules. Modules consist of three parts: installation and configuration, execution and analysis, which can be used to prepare the output file of the simulation, run the simulation and finally see the results of its analysis.
The program is graphically designed and combines all molecular structures and final analysis with 3D graphics to better understand the structures and analyzes presented. The program is capable of making useful predictions about how effective the actions of substances are and their behavior in chemical constituents. It has powerful statistical tools for displaying complex molecular relationships, and has a large database of different materials that make you completely unnecessary accessory. Using this software makes manual calculations and duplication work to a minimum, which in the long run reduces project costs and risk.