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Materials Studio is a powerful software for molecular simulation. Chemists, researchers, and chemistry students can use this program to create a variety of molecular structures such as polymers (dendrimers, alloys, copolymers, homopolymers), nanostructures such as carbon nanotubes, nanomechanical equipment, all kinds of organic and inorganic compounds and crystals, structures. And simulate. Users can perform all the mentioned structures in different molecular modes for measuring electronic structure, measuring static and dynamic structures. The program is capable of performing a variety of popular and important simulations, including quantum simulations, which include topics such as finding the optimal structure, finding the transition mode by DFT and Fock techniques.
At molecular levels, molecular dynamics and Monte Carlo can also be used for simulation. Other simulations such as DPD simulation, steam-liquid and liquid-liquid equilibrium simulations can also be performed in this program. An important feature of this program is its modularity structure. All simulations are performed 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 analyzes with three-dimensional graphics, which helps to better understand the structures and analyzes presented. This program is able to provide useful predictions about the effectiveness of material actions and their behavior in chemical compounds. It has powerful statistical tools to show complex molecular relationships and has a large database of different materials that make you completely free of additional tools. The use of this software reduces manual calculations and repetitive tasks to a minimum, which in the long run reduces costs and the risk of projects.
Supported Operating Systems
Note. Although all modules will run on x86-64 CPU’s, some modules run in 32-bit mode only.
Materials Studio System Requirements Server Support Module Windows x86 Windows x86-64 Linux x86-64 Parallel Adsorption Locator x x x Amorphous Cell x x x Blends x x x CASTEP x x x x CCDC x x x COMPASS x x x x Cantera x x x Conformers x x x DFTB+ x x x x DMol x x x x Forcite Plus x x x x GULP x x x x Gaussian Interface x 32-bit Materials Visualizer x 32-bit MesoDyn x x x x Mesocite x x x x Morphology x x x NMR CASTEP x x x x ONETEP x x x x Polymorph Predictor x x x x QMERA x x x x QSAR Plus a x x x Reflex x x x Reflex Plus x x x Reflex QPA x x Sorption x x x Synthia x 32-bit VAMP x x x X-Cell x x x a. Genetic Function Approximation (GFA) and Neural Networks run on Windows only.
Hardware Requirements
Processor: Intel Core i5 or compatible processor
RAM: A minimum of 4 GB of memory for Materials Studio Client and 4 GB for the server modules. Ideally, a total of 8 GB should be available if the client and server are installed on the same machine.
Graphics Cards: Materials Studio is designed to work with all types of graphics cards. Performance and quality improvements are generally observed when using the Nvidia Quadro range of cards. Limited support is provided for AMD or ATI graphics cards.
Supported Grid Systems
If you are planning to install on a grid, Materials Studio 2017 supports the following grid system versions:
Altair PBS Professional 13.1 on Windows and Linux
IBM Spectrum LSF 10.1 on Windows and Linux
Adaptive Computing Torque 6.0 on Linux
Univa Grid Engine (UGE) 8.4 on Linux
In the Readme file in the Crack folder.
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