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Accelrys Releases Materials Studio 5.0: Transforming Modeling & Simulation for Chemical and Material

Market-Leading Solution Increases Scientific Relevance to Product Design, Dramatically Speeds Innovation Cycle

Accelrys European User Group Meeting — Accelrys, Inc, a leading provider of scientific business intelligence software and services, today announced the release of Materials Studio 5.0. This state-of-the-art modeling and simulation platform builds on Accelrys’ foundation for transforming the efficiency and effectiveness of chemical and materials research. The new release includes a host of integrated product enhancements — ranging from advanced instrument simulation and visualization tools, to new and improved parallel codes — delivering the performance and usability that today’s chemists, physicists and materials scientists need to increase research productivity and speed time-to-innovation.

“This product release furthers Accelrys’ commitment to delivering tools that not only streamline the scientific cycle, but also increase the relevance of scientific findings to business functions such as product engineering and design,” said Dr. Frank Brown, senior vice president and chief science officer at Accelrys. “With sophisticated tools for materials science research like Materials Studio 5.0, scientists can make breakthrough discoveries faster.”

Providing a single, integrated platform for advanced modeling and simulation, Materials Studio enables scientists to more easily and efficiently perform highly complex research. Version 5.0 incorporates highly efficient parallel codes and supports a wider range of polymer and instrument simulations, delivering the industry’s fastest time-to-solution for sophisticated modeling tasks. The solution has already been proven in numerous research-driven industries, including specialty chemicals, pharmaceuticals, consumer packaged goods, heavy manufacturing, and electronics.

About Materials Studio 5.0

Accelrys Materials Studio transforms the way that researchers in chemistry, physics and materials science work to deliver breakthrough results. Version 5.0 enables scientists to explore a wider design space and make better informed decisions in research on catalysis, polymers, specialty chemicals and advanced materials. This scientifically sophisticated simulation environment dramatically reduces time to innovation by increasing research productivity while simultaneously delivering more relevant results to engineering, product design, and marketing teams. Specific enhancements

— Extensions to the easy-to-use graphical user environment which
simplifies highly complex modeling and simulation activities. For example,
Materials Studio 5.0 now provides graphical representations of reciprocal
space (Brillouin Zones), crucial for understanding the electron behavior of
solid-state materials.

— New and improved parallel codes at every simulation scale (including
quantum, classical, atomistic, mesocale), for shorter turn-around times on
even the most challenging modeling and simulation tasks.

— An integrated and extended set of tools for polymer and soft matter
research, including new versions of Amorphous Cell, Forcite Plus and
Mesocite that provide more and faster ways to model complex materials than
ever before, all with a minimum of human interaction and computing

— A wider range of analytical instrument simulations, including Raman
spectra calculations in CASTEP.

Materials Studio 5.0 will be generally available in the fourth calendar quarter of 2009.

For a full list of Materials Studio 5.0 enhancements and to register for the upcoming web seminar series, please visit

Customers Benefit from Materials Studio 5.0

Dozens of users across all key industries have already seen solid results using early, Beta releases of Materials Studio 5.0.

— The Procter and Gamble Company (

“I’m quite impressed with the speedup I’m seeing with Forcite Plus in
Materials Studio 5.0. With the parallel version of Forcite Plus working
with COMPASS, and scaling so well up to 128 CPUs, we’ll be able to use
it in a variety of projects.”
— Kelly Anderson, Senior Scientist, Modeling & Simulation, Corporate

— PQ Corporation (

“The new Raman functionality in CASTEP enabled me to accurately
reproduce the experimental Raman spectra of large real silicate
crystals. One can expect that this functionality will be highly
beneficial for characterizing, understanding, and predicting the
molecular constitution of a variety of complex materials.”
— Istvan Halasz, Principal Chemist, PQ Corporation, USA

— Taiyo Yuden (

“The new Raman spectra prediction in CASTEP is very easy to use. We
confirmed it gives us valuable information which compares well with
experimental results for a wide variety of insulators.”
— Yoshiki Iwazaki, Researcher, Taiyo Yuden Co., Ltd., Japan

— Army Research Laboratory

“We expect the new Amorphous Cell functionality to allow us to better
study adhesion of polymers to semiconductor surfaces and nanoparticles.
The study of multifunctional nanocomposites is important for a variety
of Army applications.”
— Jan Andzelm, Ph.D., Computational Chemist, Army Research Laboratory,USA

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