MOLECULAR MODELLING

Materials Studio 5.0

11 November 2009

Accelrys

Accelrys has introduced Materials Studio 5.0, a modelling and simulation platform. The release includes numerous integrated product enhancements, ranging from advanced instrument simulation and visualisation tools, to improved parallel codes.

Providing a single, integrated platform for advanced modelling and simulation, version 5.0 incorporates highly efficient parallel codes and supports a wide range of polymer and instrument simulations, delivering a fast time-to-solution for sophisticated modelling tasks. The solution has already been proven in numerous research-driven industries, including speciality chemicals, pharmaceuticals, consumer packaged goods, heavy manufacturing, and electronics.

Materials Studio 5.0 enables scientists to explore a wide design space and make informed decisions in research on catalysis, polymers, specialty chemicals and advanced materials. This scientifically sophisticated simulation environment reduces time to innovation by increasing research productivity while simultaneously delivering more relevant results to engineering, product design, and marketing teams.

Version 5.0 features extensions to the easy-to-use graphical user environment simplifying highly complex modelling and simulation activities. For example, version 5.0 provides graphical representations of reciprocal space (Brillouin Zones), crucial for understanding the electron behaviour of solid-state materials.

Improved parallel codes are included at every simulation scale (including quantum, classical, atomistic, mesocale), for shorter turn-around times on even the most challenging modelling and simulation tasks. Also, an integrated and extended set of tools for polymer and soft matter research is supplied, including new versions of Amorphous Cell, Forcite Plus and Mesocite that provide faster ways to model complex materials, all with minimum human interaction and computing resources. Finally, the software features a wide range of analytical instrument simulations, including Raman spectra calculations in CASTEP.

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