Modeling & Simulation

Fujitsu demonstrates computational design of carbon nanotube and graphene nanodevice

By Eileen De Guire / August 17, 2011

Carbon nanotube and graphene electrode nanodevice. The electrical properties of a 1,000 atom nanodevice were calculated using first-principles computation methods. Credit: Fujitsu Laboratories press release. A key tenet of the…

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Supercomputer simulations reveal entropy roots of water penetration of CNTs

By / August 15, 2011

Representation of Caltech team’s simulations of a 2.0 nm-diameter carbon nanotube, revealing confined water molecules. Credit: Tod Pascal, Caltech. A recent issue of PNAS had an intriguing article that discusses the interplay…

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