Accelrys’ Materials Studio Makes Big Impact with “Small” Science

Accelrys Inc. announces 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,” says 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,” says 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.