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Home > Press > New Capabilities in the Areas of Quantum and Molecular Mechanics, Mesoscale Modeling and Polymorph Prediction Expand Accelrys' Multiscale Modeling Env

Accelrys Releases New Multiscale Modeling and Simulation Tools in Materials Studio® 4.3

New Capabilities in the Areas of Quantum and Molecular Mechanics, Mesoscale Modeling and Polymorph Prediction Expand Accelrys' Multiscale Modeling Env

SAN DIEGO, CA | Posted on June 17th, 2008

Accelrys, Inc. (NASDAQ: ACCL) today announced the release of Materials Studio® 4.3, the newest version of its materials modeling and simulation platform. Materials Studio 4.3 enables multiscale modeling by introducing new functionality in the areas of quantum mechanics and mesoscale modeling. Accelrys continues its partnership with Cambridge Crystallographic Data Centre (CCDC) by enhancing computational predictions with experimental results to create decision support tools in the area of molecular crystallization.

Materials Studio now extends the capabilities that have been limiting researchers in solving real-world problems. Materials Studio ONETEP can model large systems with thousands of atoms fully quantum mechanically, providing unprecedented accuracy for systems of this size. Materials Studio ONETEP is able to scale calculations across hundreds of CPUs, making efficient use of computational resources.

QMERA, a hybrid technology, enables researchers to combine quantum and molecular mechanics in a single calculation for the prediction of structural, thermodynamic, and electronic properties up to an order of magnitude faster than traditional quantum calculations without compromising accuracy.

Mesotek is a next-generation field-based mesoscale application enabling users to increase the complexity of systems that can be modeled in the fields of nanomaterials, molecular crystals, polymers and organic chemistry. Materials Studio Mesotek provides a coarse-grained approach that allows the combination of soft and hard materials in a single calculation.

Motif, a tool for polymorph prediction, interfaces with CCDC's Mercury software to extract hydrogen bond information from the Cambridge Structural Database. Materials Studio Motif allows for a knowledge-based approach to categorize and rank crystal structures predicted by Materials Studio Polymorph, and takes an important step towards in silico crystal engineering efforts.

"By providing a complete multiscale modeling environment, Materials Studio 4.3 extends our customers' modeling and simulation capabilities to systems larger and more complex than ever before, delivering results that can be used at the molecular or the engineering scale" said Accelrys' President and Chief Executive Officer Mark J. Emkjer. "When combined with our advanced analytics and data integration platform, we are creating flexible, customizable and fully integrated scientific business intelligence solutions that help our customers solve key problems throughout the research and development process."

For more information about Materials Studio 4.3 or to download a free trial of the visualization component, Materials Visualizer, please visit today.


About Accelrys, Inc.
Accelrys develops and commercializes scientific business intelligence software and solutions that help accelerate science for our clients in the Life Sciences, Energy, Chemicals, Aerospace, and Consumer Packaged Goods industries. Our solutions are used by biologists, chemists, materials scientists, IT and business professionals to aggregate, analyze, simulate, and visualize data to utilize better scientific date.

Our Scientifically aware Business Intelligence platform combined with our Predictive Science tools helps clients conduct experiments in-silico, aids them in making informed decisions in real-time, and reduces engineering, development, and discovery times for new product development. Our clients are in the commercial, academic, and government sectors and our customers include many of the Fortune 500 companies. We market our products and services globally, principally through our direct sales force. We also use distributors and strategic alliance partners to help sell our solutions. Accelrys is headquartered in San Diego, California. For more information about Accelrys, visit its website at

Forward-Looking Statements

This press release contains forward-looking statements. Such statements, including statements relating to Materials Studio 4.3, its features and potential demand therefore, are subject to risks and uncertainties including, but not limited to, the risks that Materials Studio 4.3 will not successfully achieve market acceptance, demand relating to Materials Studio 4.3, and other risks and uncertainties described in documents Accelrys has filed with the Securities and Exchange Commission, including its most recent report on Form 10-K and any subsequent interim filings. All forward-looking statements in this document are qualified entirely by the cautionary statements included in this document and such filings. These risks and uncertainties could cause actual results to differ materially from results expressed or implied by forward-looking statements contained in this document. These forward-looking statements speak only as of the date of this document. Accelrys disclaims any intent or obligation to publicly update or revise any forward-looking statements contained herein to reflect any change in its expectations with regard thereto or any change in events, conditions or circumstances on which any such statement is based.

For more information, please click here

Accelrys, Inc.
Zahra Ardehali
(858) 799-5440

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