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Posted: December 15, 2008
New Capabilities in the Areas of Mesoscale Modeling and Quantum Mechanics Expand Accelrys' Multiscale Modeling Environment
(Nanowerk News) Accelrys, Inc. today announced the release of Materials Studio® 4.4, the newest version of its materials modeling and simulation platform. Materials Studio 4.4 extends its multiscale modeling capabilities by introducing new functionality in the areas of mesoscale modeling and quantum mechanics that increase research productivity by extending the range of materials that can be simulated.
Materials Studio includes Mesocite, a new module that further expands mesoscale modeling capabilities. Mesocite enables the simulation of particles incorporating ring structures, electrostatics, and allows users to incorporate more chemical details in mesoscale simulations than previously available. Mesocite provides an intermediate-level of simulation between the fine-grained atomistic models and the more coarse-grained Mesotek models. A coarse-grained forcefield is provided giving the capability to perform simulations of biomolecular models in Materials Studio.
Materials Studio also includes an enhanced version of Mesotek, a next-generation field-based mesoscale application enabling users to model more complex materials in the fields of nanomaterials, polymers and organic chemistry. Mesotek now allows the simulation of nanoparticles in soft materials at length scales up to micrometers thus enabling morphology predictions for nanocomposites, which helps solve a broader range of real-world problems.
Additionally, Materials Studio now includes functionality that improves the ease-of use and accuracy of quantum mechanics tools for predicting optical and electronic properties, such as band gaps and work functions, properties essential for the design of new electronic devices.
“By providing a complete multiscale modeling environment, Materials Studio 4.4 extends our customers' modeling and simulation capabilities to a wider range of materials and properties than ever before," said Accelrys' President and Chief Executive Officer Mark J. Emkjer. "When combined with our advanced analytics and data integration platform, we create flexible, customizable and integrated scientific business intelligence solutions that help our customers improve their research productivity by solving key problems enabling them to remain competitive and keep up with the constant changing demands in their respective industries."
For more information about Materials Studio 4.4 or to download a free trial of the visualization component, Materials Visualizer, please visit http://accelrys.com/.
Headquartered in San Diego, California, Accelrys develops scientific business intelligence software and solutions for the life sciences, energy, chemicals, aerospace, and consumer products industries. Our customers include many Fortune 500 companies and other commercial entities as well as academic and government entities. We have a vast portfolio of computer-aided design modeling and simulation offerings which assist our customers in conducting scientific experiments ‘in silico’ in order to reduce the duration and cost of discovering and developing new drugs and materials. Our scientific business intelligence platform underlies most of our computer-aided design modeling and simulation offerings. Our platform can be used with our products, our competitors’ products and our customers’ proprietary predictive science products. Its flexibility, ease-of-use and advanced chemical, text and image analysis and reporting capabilities enable our customers to mine, aggregate, analyze and report scientific data from disparate sources, thereby better utilizing scientific data within their organizations. For more information about Accelrys, visit its website at http://accelrys.com/