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Accelrys Nanotechnology Consortium

Enabling Computer-Aided Nanodesign™

The Accelrys Nanotechnology Consortium delivers a range of cutting-edge software tools to meet the challenges of rational nanodesign.Since its inception in 2004, the Accelrys Nanotechnology Consortium has delivered a range of cutting-edge software tools to meet the challenges of rational nanodesign. Following a very successful Phase I, supported by over 30 members worldwide, Phase II is now under way. See who is participating in Phase II »

Phase II - Nanotechnology Consortium

Phase II focus on developing tools and protocols that bridge the gap between atomistic simulations and engineering applications in the area of reaction kinetics. Key areas of development include QM/MM hybrid methods, Tight Binding DFT, reaction rate constant calculations by means of Transition State Theory, and Kinetic Monte Carlo simulation. The tools developed support research in a range of areas but specificially in surface and iinterface phenomena such as adhesion, coatings and heterogeneous catalysis.