July 18, 2007 — Accelrys Inc., maker of computer aided nanodesign (CAN) products, has released a new version of its QMERA software. Developed by the Accelrys Nanotechnology Consortium, QMERA is a multi-scale method that enables users to include quantum mechanical and molecular mechanic methods (QMMM) simultaneously through a hybrid simulation approach. The update will be commercially available to members of the Nanotechnology Consortium as part of Materials Studio 4.2, expected to be released this month.
Accelrys launched the Nanotechnology Consortium in 2004 to develop and commercialize “innovative science that helps researchers investigate complex models of nanostructures and devices.” The consortium says its success is measured not only by its 29 members, but by the amount of new software solutions it has developed to meet customers’ needs. In addition to QMERA, Nanotechnology Consortium development efforts have resulted in software included in Materials Studio 3.2, 4.0 and 4.1. The software includes ONETEP, a linear scaling quantum mechanics program and GULP, a force field package for calculating a wide range of materials properties.
Accelrys has also added new members to its Nanotechnology Consortium, including the National Nanotechnology Center (NANOTEC) in Thailand, and DENSO Corporation. Accelrys plans to launch Phase II of the Nanotechnology Consortium later this year.