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Computation of electron quantum transport in graphene nanoribbons using GPU
Green's function formalism GPU graphene ribbon
2011/8/11
Abstract: The performance potential for simulating quantum electron transport on graphical processing units (GPUs) is studied. Using graphene ribbons of realistic sizes as an example it is shown that ...
Competition between hydrogen bonding and electric field in single-file transport of water in carbon nanotubes
hydrogen bonding and electric field single-file transport carbon nanotubes
2011/9/15
Recent studies have shown the possibility of water transport across carbon nanotubes, even in the case of nanotubes with small diameter (0.822 nm). In this case, water shows subcontinuum transport fol...
Transport calculations in complex materials: A comparison of the Kubo formula, the Kubo-Greenwood formula and the microscopic response method
Transport calculations complex materials Kubo-Greenwood formula microscopic response method
2010/11/18
Recently we have introduced the microscopic response method (MRM) to compute the conductivity
and Hall mobility for complex system with topological and thermal disorder, which is more
convenient tha...
Novel time-saving first-principles calculation method for electron-transport properties
first-principles calculation method electron-transport properties
2010/10/27
We present a time-saving simulator within the framework of the density functional theory to
calculate the transport properties of electrons through nanostructures suspended between semiinfinite elect...