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OS: Linux, Windows

Materials Studio offers user-friendly access to a complete range of computational materials science methods.

Materials Visualizer provides all of the graphical tools that you require to construct models of molecules, crystalline materials, surfaces, polymers, and mesoscale structures. You can manipulate, view, and analyze these models. Most tools in the Materials Visualizer can be accessed through the MaterialsScript API, allowing automation of tasks and letting expert users extend the functionality. Materials Visualizer also handles graph, tabular, and textual data and provides the infrastructure and analysis tools to support the full range of Materials Studio products.

Quantum Tools:
Materials Studio provides a range of quantum mechanics-based tools for molecules and periodic structures, including density functional methods, linear scaling DFT, QM/MM and semi-empirical tools. These tools provide accurate results for the structural, thermophysical, electronic, and optical properties of materials.

Classical Simulation Tools:
Materials Studio offers a very wide range of methods based on classical interactions between atoms and molecules. These include Molecular Dynamics, Lattice Dynamics and various Monte Carlo based methods as well as the provision of forcefi elds.

Mesoscale Simulation Tools:
Mesoscale methods in Materials Studio are based on a coarse-graining approach, whereby groups of atoms are replaced by beads. These methods enable the modeling of behavior at length and time scales which are beyond the range of classical tools.

Analytical & Crystallization Tools:
Analytical and crystallization tools are employed to investigate, predict, and modify crystal structure and crystal growth.

Statistical Tools:
Statistical tools are ideal to screen compounds quickly by relating molecular traits directly to experimentally observed quantities.

Link: http://accelrys.com/products/materials-studio/