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Materials Studio is a sophisticated simulation software developed by Accrys for the field of materials science, designed to run on personal computers. This software incorporates state-of-the-art molecular modeling and visualization analysis tools, enabling the resolution of numerous critical issues currently faced in the chemical and materials industries. These include semiconductors, metals and alloys, ceramics, catalysts, polymers and their composites, batteries and fuel cells, as well as a variety of nanomaterials and pharmaceuticals.
This version, Materials Studio 7.0, offers an English cracked version for free download, complete with an installation tutorial, providing users with an Accessible way to simulate and analyze materials on a PC.
Key highlights of Materials Studio 7.0 include:
- Significant improvement in the calculation efficiency of the DMol3 module compared to ms6.1.
- Support for non-equilibrium Green's function (NEGF)-based electronic transport property calculations in the DFTB+ module, with outputs including transmission functions, I-V curves, and charge densities.
- Forcite Plus now calculates the free energy of molecules dissolved in solutions and polymers.
- Increased support for the COMPASS II force field for ionic liquids, enhancing the calculation precision for polymer and heterocyclic systems.
- CASTEP module now supports the NEB method for confirming transition states.
- More efficient amorphous cells when constructing large systems.
- Addition of visualization tools for the construction of electrode models and the calculation of electronic transport properties.
- Direct script generation in the module operation panel, improving script editing and usage efficiency.
The software features a comprehensive set of tools for the visualization of materials, including molecular, crystalline, and polymeric structures. It provides an environment for the manipulation, observation, and analysis of structural models, as well as data processing in graphical, tabular, or textual formats. As a core module of the Materials Studio suite, it offers essential tools and analysis capabilities for Materials Studio-supported software and other products.
Other modules within Materials Studio 7.0 include Discovery, which is the molecular mechanics computational engine, Compass, a full-featured force field for molecular-level simulation of condensed materials, AmorphousCell for creating and analyzing complex amorphous systems, and Reflex, which simulates various powder diffraction patterns for crystal materials. Additionally, the software can compute phase diagrams for binary or multi-component systems of hydrocarbons, and DMol3 provides a unique density functional theory (DFT) program for simulating the properties of liquids, surfaces, and solids. CASTEP is an outstanding computational program used for research on a wide range of materials, including ceramics, semiconductors, and metals.
