27 citations · 155 across the 20 of their papers we have counts for
22 papers
Improving the Stability of the Hierarchical Equations of Motion for Open Quantum Systems with Strong Coupling to Structured Bosonic Baths
Salvatore Gatto, Samuel L. Rudge, Bokang Hou +2
The hierarchical equations of motion (HEOM) approach is one of the most powerful methods avail- able to simulate the dynamics of open quantum systems. Although the HEOM approach ha…
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…
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…