5.8k citations · 7.1k across the 5 of their papers we have counts for
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cond-mat.mtrl-sci2002★ 197 cited
Conductance switching in a molecular device: the role of sidegroups and intermolecular interactio
Jeremy Taylor, Mads Brandbyge, Kurt Stokbro
We report first-principles studies of electronic transport in monolayers of Tour wires functionalized with different side groups. An analysis of the scattering states and transmiss…
cond-mat.mtrl-sci2001★ 5.8k cited
Density functional method for nonequilibrium electron transport
Mads Brandbyge, Jose-Luis Mozos, Pablo Ordejon +2
We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite…