20 citations · 35 across the 13 of their papers we have counts for
14 papers · 1 filter
Negative Electronic Friction and Non-Markovianity in Nonequilibrium Quantum Systems
Riley J. Preston, Samuel L. Rudge, Daniel S. Kosov +1
We address the connection between negative electronic friction and non-Markovian effects in the nonadiabatic vibrational dynamics of molecules interacting with metal surfaces under…
Vibrational Instabilities in Charge Transport through Molecular Nanojunctions: The Role of Anharmonic Nuclear Potentials
Martin Mäck, Michael Thoss, Samuel L. Rudge
The current-induced vibrational dynamics is a key factor determining the stability of molecular nanojunctions. Beyond conventional Joule heating, a different mechanism caused by no…
Vibrational Instabilities in Charge Transport through Molecular Nanojunctions: The Role of Nonconservative Current-Induced Electronic Forces
Martin Mäck, Riley J. Preston, Michael Thoss +1
Understanding the current-induced vibrational dynamics in molecular nanojunctions is critical for gaining insight into the stability of such systems. While it is well known that Jo…
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…
Influence of Nonequilibrium Vibrational Dynamics on Spin Selectivity in Chiral Molecular Junctions
Rudolf Smorka, Samuel L. Rudge, Michael Thoss
We explore the role of molecular vibrations in the chirality-induced spin selectivity (CISS) effect in the context of charge transport through a molecular nanojunction. We employ a…
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…