155 citations · 499 across the 17 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…