31 citations · 69 across the 6 of their papers we have counts for
4 papers · 1 filter
The Role of Quantum Vibronic Effects in the Spin Polarization of Charge Transport through Molecular Junctions
Samuel L. Rudge, Christoph Kaspar, Rudolf Smorka +3
The connection between molecular vibrations and spin polarization in charge transport through molecular junctions is currently a topic of high interest, with important consequences…
Nonadiabatic Dynamics of Molecules Interacting with Metal Surfaces: A Quantum-Classical Approach Based on Langevin Dynamics and the Hierarchical Equations of Motion
Samuel L. Rudge, Christoph Kaspar, Robin L. Grether +3
A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equ…
Nonadiabatic vibronic effects in single-molecule junctions: A theoretical study using the hierarchical equations of motion approach
Christoph Kaspar, André Erpenbeck, Jakob Bätge +2
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic…
Efficient steady state solver for the hierarchical equations of motion approach: Formulation and application to charge transport through nanosystems
Christoph Kaspar, Michael Thoss
An iterative approach is introduced, which allows the efficient solution of the hierarchical equations of motion (HEOM) for the steady state of open quantum systems. The approach c…