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Materials Design's MedeA environment helps researchers to access the powerful VASP code for abintio calculations. Complementary to VASP there are very powerful codes like MT for predicting mechanical and thermomechanical properties of high-performance alloys, hard materials, oxides and other more complex materials, Gibbs for Thermodynamic properties of solid-gas systems, liquids and liquid-gas phases and Phonon for predicting lattice vibrational spectra and thermodynamic functions for a wide range of materials. In fact there are several more programs in the environment which could be useful.


Accelrys (NASDAQ:ACCL), a leading scientific enterprise R&D software and services company, supports industries and organizations that rely on scientific innovation to differentiate themselves. Accelrys’ Enterprise R&D Architecture, built on the industry leading Pipeline Pilot™ platform, enables customers to access, organize, analyze and share scientific data in unprecedented ways, ultimately enhancing innovation, improving productivity and compliance, reducing costs and speeding time from lab to market.


Molecular Networks delivers Chemoinformatics innovations by increasing the quality and productivity of discovery in chemical, pharmaceutical and biotechnology R&D. The company offers solutions in Hazard and Risk Assessment, Drug Design and Property Prediction, Synthesis Design and Reaction Prediction, Metabolic Engineering and White Biotechnology, Analysis and Prediction of Metabolism and Building and Enriching Chemical Databases.


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