Leading the way in the use of technology to meet the emerging needs of the scientific community and accelerate the process of discovery, development and commercialization of new products.

Consortia and Special Interest Groups

Nanotechnology Consortium

From 2004 to 2010, the Accelrys Nanotechnology Consortium united leaders from industry and academia in a collaborative effort to guide the development of cutting-edge software tools that meet the challenges of rational nanodesign.

Highlights of innovation delivered through the Nanotechnology Consortium include:

  • DFTB+ - a tight-binding density functional implementation which enables the structure and dynamics of large systems and interfaces to be studied.

  • Kinetix – a kinetic Monte Carlo method that bridges the gap from atomistic simulation to reaction engineering in the catalysis, adhesives and coating areas by simulating surface processes on time scales up to minutes.
  • QMERA – a hybrid simulation approach that applies both quantum mechanical and classical methods.

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