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.
Citation:
Deepak Srivastava, Madhu Menon, Kyeongjae Cho, "Computational Nanotechnology with Carbon Nanotubes and Fullerenes," Computing in Science and Engineering, vol. 3, no. 4, pp. 42-55, July/Aug. 2001, doi:10.1109/5992.931903