8 papers
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…
Full Quantum and Mixed Quantum--Classical Dynamics of Hot Exciton Cooling in Semiconductor Nanocrystals
Bokang Hou, Johan E. Runeson, Samuel L. Rudge +4
Hot-exciton relaxation in semiconductor nanocrystals (NCs) is often described using perturbative theories, but their accuracy is difficult to assess for realistic exciton--phonon H…
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…
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…
Unraveling Exciton Trap Dynamics and Nonradiative Loss Pathways in Quantum Dots via Atomistic Simulations
Bokang Hou, Salvatore Gatto, Samuel L. Rudge +3
Surface defects in colloidal quantum dots are a major source of nonradiative losses, yet the microscopic mechanisms underlying exciton trapping and recombination remain elusive. He…
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…