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INNOVATION

Leading the way in the use of technology to meet the emerging needs of the scientific community and accelerate the discovery process.

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Nanotechnology Consortium

Since its inception in 2004, the Accelrys Nanotechnology Consortium has 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:

  • Kinetix – a kinetic Monte Carlo method that bridges the gap from atomistic simulation to reaction engineering in the catalysis, adhesives and coating area by simulating surface processes such as heterogeneous catalysis on time scales up to minutes.
  • Adsorption Locator – a method for finding low-energy adsorption sites for molecules on both periodic and non-periodic substrates.
  • QMERA – a hybrid simulation approach that simultaneously applies both quantum mechanical and molecular mechanic methods.
  • ONETEP –  a quantum mechanics method designed specifically for calculations on large systems (>500 atoms).
  • GULP- a force field method with a wide range of materials forcefields, from shell models for ionic systems, embedded atoms for metals, bond order potentials for semiconductors and nanotubes, to molecular mechanics forcefield support for covalent systems.

Join the Effort

Membership to the Accelrys Nanotechnology Consortium is still open and discussions regarding future goals and efforts are underway.  To learn more about joining the effort, contact us today.

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