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Posted: Nov 29, 2011

Accelrys' Materials Studio Makes Big Impact with "Small" Science

(Nanowerk News) Accelrys, Inc., a leading scientific enterprise R&D software and services company, has announced a new release of the Materials Studio® modeling and simulation environment. Supporting today's increasing reliance on micro- and nanoscale engineering, Materials Studio 6.0 enables scientists to relate product performance with material properties and behavior at the molecular and atomic scales. State-of-the-art modeling and simulation with Materials Studio 6.0 combines the accuracy of quantum methods with the speed of atomistic methodologies. Improved virtual screening of candidate materials and faster property predictions accelerate the development of better performing, cost-effective, environmentally friendly and sustainable materials, minimizing redesign cycles and speeding products to market.
"Nanoscience will play a key role in the next generation of materials used in automobiles, aircraft, electronics and many other industries," said Professor Bjoern Winkler of the University of Frankfurt. "Materials Studio provides us with the computational science we need to help understand and develop these materials and this release is the most powerful yet."
Materials Studio 6.0 has extended Accelrys' leadership in predictive materials science through the NanoTechnology Consortium and the European Commission's FP7 NanoInterface Project. A unique collaboration between Accelrys and partners in industry and academia, the NanoTechnology Consortium developed a new Density Functional Based Tight Binding (DFTB+) module in Materials Studio 6.0 that accelerates the study of the structure and dynamics of large molecular systems. The European NanoInterface Project, which ended in October 2010, leveraged multi-scale modeling and simulation methods within Materials Studio to improve scientists' understanding of the interfacial behavior of metal-oxide-polymer interfaces in nanoelectronic devices.
"Nanotechnology—the ability to manipulate matter at the atomistic and molecular scale—is already producing a wide range of beneficial materials and devices," said Accelrys Senior Vice President and Chief Science Officer Frank Brown, Ph.D. "Working closely with our partners, Accelrys is taking practical strides to bring this new and rapidly developing science into the mainstream through Materials Studio."
As a key offering within the Accelrys Modeling and Simulation Suite, Materials Studio offers user-friendly access to a comprehensive range of predictive science methods including quantum, atomistic, mesoscale and statistical methodologies, facilitating the evaluation of materials at various particle sizes and time scales. Materials Studio 6.0 includes tools for:
  • Modeling crystal structure and crystallization processes
  • Property prediction involving molecules, polymers, catalysts and other materials
  • Development of structure-activity relationships
  • The Materials Studio Collection for Pipeline Pilot also automates standard materials modeling and simulation methods for presentation to non-experts in easy-to-use Web browser tools.
    To learn more about modeling and simulation with Materials Studio, register for the webinar on "What's New in Materials Studio 6.0," scheduled for Dec. 13. You can also see Materials Studio 6.0 in action at the Materials Research Society (MRS) Fall Meeting and Exhibition, Accelrys Booth 1110, being held Nov. 28-Dec. 2 in Boston.
    About Accelrys, Inc.
    Accelrys, a leading scientific enterprise R&D software and services company, supports industries and organizations that rely on science as a differentiator. Accelrys' Enterprise Research & Development Architecture, built on the industry-leading Pipeline Pilot™ platform, provides a broad, flexible scientific solution optimized to integrate the diversity of science, experimental processes and information requirements across the research, development, process scale-up and early manufacturing phases of product development. Through its Enterprise R&D Architecture and market-leading electronic laboratory notebooks (ELNs), Accelrys enables scientific innovators to access, organize, analyze and share data in unprecedented ways, enhancing innovation, improving productivity and compliance, reducing costs and speeding time from lab to market.
    Headquartered in San Diego, Calif., Accelrys has more than 1,300 customers in the pharmaceutical, biotechnology, energy, chemicals, aerospace, consumer packaged goods and industrial products industries and employs approximately 150 full-time Ph.D. scientists. For more information about Accelrys, visit
    Source: Accelrys (press release)
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