1 citations · 1 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2005
Ab initio analysis of electron-phonon coupling in molecular devices
N. Sergueev, D. Roubtsov, Hong Guo
We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are…
cond-mat.mtrl-sci2003★ 1 cited
Ab initio calculation of transport properties of metal-C60-metal junctions
N. Sergueev, D. Roubtsov, H. Guo
By carrying out density functional theory (DFT) analysis within the Keldysh non-equilibrium Green's function (NEGF) framework, we investigate the quantum transport properties of Au…