29 citations · 82 across the 11 of their papers we have counts for
12 papers
A General Non-Markovian Electronic Friction and Langevin Dynamics Framework for Nonequilibrium Systems
S. L. Rudge, R. J. Preston, D. S. Kosov +1
We present a general framework for simulating the nonequilibrium vibronic dynamics of molecules interacting with metal surfaces, which utilizes non-Markovian electronic friction an…
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…
A Haldane-Anderson Hamiltonian Model for Hyperthermal Hydrogen Scattering from a Semiconductor Surface
Xuexun Lu, Nils Hertl, Sara Oregioni +5
Collisions of atoms and molecules with metal surfaces create electronic excitations in the metal, leading to nonadiabatic energy dissipation, inelastic scattering, and sticking. Mi…
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…
Nonadiabatic Quantum Dynamics of Molecules Scattering from Metal Surfaces
Riley J. Preston, Yaling Ke, Samuel L. Rudge +4
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamical steering effects during chemical surface dynamics. We prese…
Current-driven mechanical motion of double stranded DNA results in structural instabilities and chiral-induced-spin-selectivity of electron transport
Nicholas S. Davis, Julian A. Lawn, Riley J. Preston +1
Chiral-induced-spin-selectivity of electron transport and its interplay with DNA's mechanical motion is explored in a double stranded DNA helix with spin-orbit-coupling. The mechan…
A physically realizable molecular motor driven by the Landauer blowtorch effect
Riley J. Preston, Daniel S. Kosov
We propose a model for a molecular motor in a molecular electronic junction driven by a natural manifestation of Landauer's blowtorch effect. The effect emerges via the interplay o…
Emergence of negative viscosities and colored noise under current-driven Ehrenfest molecular dynamics
Riley J. Preston, Thomas D. Honeychurch, Daniel S. Kosov
Molecules in molecular junctions are subject to current-induced forces that can break chemical bonds, induce reactions, destabilize molecular geometry, and halt the operation of th…
First-passage time theory of activated rate chemical processes in electronic molecular junctions
Riley J. Preston, Maxim F. Gelin, Daniel S. Kosov
Confined nanoscale spaces, electric fields and tunneling currents make the molecular electronic junction an experimental device for the discovery of new, out-of-equilibrium chemica…
Cooling molecular electronic junctions by AC current
Riley J. Preston, Thomas D. Honeychurch, Daniel S. Kosov
Electronic current flowing in a molecular electronic junction dissipates significant amounts of energy to vibrational degrees of freedom, straining and rupturing chemical bonds and…
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…