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The authors envision computational nanotechnology's role in developing the next generation of multifunctional materials and molecular-scale electronic and computing devices, sensors, actuators, and machines. They briefly review computational techniques and provide a few recent examples derived from computer simulations of carbon nanotube-based molecular nanotechnology.
Madhu Menon, Deepak Srivastava, Kyeongjae Cho, "Computational Nanotechnology with Carbon Nanotubes and Fullerenes", Computing in Science & Engineering, vol. 3, no. , pp. 42-55, July/August 2001, doi:10.1109/5992.931903
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