Accelrys and University of Cambridge Extend Research Software Collaboration; New Materials Characterization Software
Accelrys, Inc. (NASDAQ:ACCL) and the University of Cambridge announced the signing of two exclusive agreements that will enable Accelrys to provide researchers with a new method to aid the characterization of molecular-level structure. Accelrys will deliver this advanced materials science software, developed in the University, directly to its customers in industrial research.
Under the first agreement, Accelrys will distribute new technology that builds on its CASTEP quantum mechanics product, already in the market, to predict nuclear magnetic resonance (NMR) chemical shielding tensors and quadrupolar coupling constants for any material. Predicting these constants allows researchers to determine molecular-level structure and properties, insight that is an essential first step in any research project focused on nanoscale phenomena. Such projects may include designing or characterizing materials for nanotechnology applications and drug delivery.
The breakthrough was achieved by Professor Michael Payne and Drs Chris Pickard and Jonathan Yates of the Theory of Condensed Matter Group in the University’s Cavendish Laboratory, in collaboration with Professor Francesco Mauri at the Laboratoire de Mineralogie-Cristallographie de Paris, in the Universite Pierre et Marie Curie. The new method is unique because it is the only one available capable of predicting NMR parameters for both light and heavy nuclei in both molecules and solid materials. Accelrys will distribute the new technology as NMR CASTEP, an add-on to CASTEP.
Dr. Ian Farnan from the University of Cambridge, Department of Earth Sciences, said, “NMR CASTEP is allowing us to investigate new materials and processes where previously unknown or unexpected atomic environments may exist. Already in the field of radiation damage, we have been able to predict and thus identify the chemical shifts of structures created by high energy events and compare them to experimental data. NMR CASTEP takes us to a new level in the interpretation of our experimental results.”
The second agreement extends an existing contract so that Accelrys will continue to distribute the CASTEP quantum mechanics program until 2016. This program was developed by the CASTEP Developers’ Group, an internationally leading consortium of scientists that continually contributes new and enhanced scientific algorithms. CASTEP simulates key properties of solids, interfaces, and surfaces for a wide range of important materials classes, including ceramics, semiconductors, and metals. Under the agreement, Accelrys will continue to ensure the commercial quality of CASTEP and to deliver the product to industrial users within its Materials Studio(R) software environment.
“CASTEP is one of the most important computer aided nanodesign tools available today,” said Scott Kahn, chief science officer at Accelrys. “This long-term extension of our agreement with the Developers’ Group validates the success of our approach, of working closely with leading academics to deliver valuable technology to the industry.”
About Accelrys
Accelrys, Inc. (NASDAQ:ACCL) is a leading provider of software for computation, simulation, and the management and mining of scientific data used by biologists, chemists and materials scientists, including nanotechnology researchers, for product design as well as drug discovery and development. Accelrys technology and services are designed to meet the needs of today’s leading research organizations. The company is headquartered in San Diego, California. For more information about Accelrys, visit its website at http://www.accelrys.com/ .
About the Theory of Condensed Matter Group (TCM), University of
Cambridge
With over sixty-five researchers, TCM is one the largest groups of condensed matter theorists in the world. Their research covers a broad spectrum of studies from quantum mechanical simulations of atomic scale systems, through cooperative quantum phenomena to self-organizing structures in “soft” condensed matter systems and non-linear dynamics of interacting systems. TCM was recently awarded one of EPSRC’s prestigious Portfolio Partnerships. For more information about TCM visit its website at http://www.tcm.phy.cam.ac.uk/ .
About the Laboratoire de Mineralogie-Cristallographie de Paris
Francesco Mauri leads the quantum theory of materials group of the “Laboratoire de Mineralogie-Cristallographie de Paris” (unite mixte de recherche 7590). The group involves five permanent researchers, one postdoctoral, and four PhD students. The research interests of the group are the prediction of physical properties of materials and nanostructures by electronic structure-based ab-initio calculations.
