Materials Studio is a comprehensive materials modeling and simulation application designed for scientists in chemicals and materials R&D as well as pharmaceuticals development. Materials Studio reduces the time needed to solve complex calculations with:
• Industry-leading graphical user environments
• State-of-the-art simulation technology from quantum to atomistic to mesoscale
• Powerful statistical tools for structure-property relationships
Materials Studio provides a comprehensive set of scientific capabilities for modeling crystal structure and crystallization processes; for property prediction for molecules, polymers, catalysts, and other materials; and for the development of structure-activity relationships.
Applications include alternative energy materials, catalysis, sensors and semiconductors. Materials Studio quantum and catalysis tools accurately predict: Molecular and crystal geometry,Chemical reaction pathways,Optical properties, Spectra (UV/Vis, IR, Raman, NMR, EELS, ELNES) . This software is used in advanced research of various materials: polymers, nanotubes, catalysts, metals, ceramics, and so on, by universities, research centers and hi-tech companies (e.g., in nanotechnology research by ST Microelectronics.
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http://accelrys.com/products/materials-studio/index.html