16 citations · 16 across the 1 of their papers we have counts for
5 papers
Non-Adiabatic Effects of Nuclear Motion in Quantum Transport of Electrons: A Self-Consistent Keldysh-Langevin Study
Vincent F. Kershaw, Daniel S. Kosov
The molecular junction geometry is modelled in terms of nuclear degrees of freedom that are embedded in a stochastic quantum environment of non-equilibrium electrons. Time-evolutio…
Current-induced atomic motion, structural instabilities, and negative temperatures on molecule-electrode interfaces in electronic junctions
Riley J. Preston, Vincent F. Kershaw, Daniel S. Kosov
Molecule-electrode interfaces in molecular electronic junctions are prone to chemical reactions, structural changes, and localized heating effects caused by electric current. These…
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport: inclusion of electron-electron interactions
Vincent F. Kershaw, Daniel S. Kosov
Non-equilibrium Green's function theory for non-adiabatic effects in quantum transport [Kershaw and Kosov, J.Chem. Phys. 2017, 147, 224109 and J. Chem. Phys. 2018, 149, 044121] is…
Nonadiabatic corrections to electric current in molecular junction due to nuclear motion at the molecule-electrode interfaces
Vincent F. Kershaw, Daniel S. Kosov
We present quantum electron transport theory that incorporates dynamical effects of motion of atoms on electrode-molecule interfaces in the calculations of the electric current. Th…
Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport
Vincent F. Kershaw, Daniel S. Kosov
We develop nonequilibribrium Green's function based transport theory, which includes effects of nonadiabatic nuclear motion in the calculation of the electric current in molecular…