74 citations · 269 across the 5 of their papers we have counts for
9 papers
Benchmarking Semiclassical and Perturbative Methods for Real-time Simulations of Cavity-Bound Emission and Interference
Norah M. Hoffmann, Christian Schäfer, Niko Säkkinen +3
We benchmark a selection of semiclassical and perturbative dynamics techniques by investigating the correlated evolution of a cavity-bound atomic system to assess their applicabili…
Exciton Dissociation and Charge Separation at Donor-Acceptor Interfaces from Quantum-Classical Dynamics Simulations
Aaron Kelly
In organic photovoltaic (OPV) systems, exciton dissociation and ultrafast charge separation at donor-acceptor heterojunctions both play a key role in controlling the efficiency of…
Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach
Maximilian A. C. Saller, Aaron Kelly, Jeremy O. Richardson
The mapping approach addresses the mismatch between the continuous nuclear phase space and discrete electronic states by creating an extended, fully continuous phase space using a…
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics
William C. Pfalzgraff, Andrés Montoya Castillo, Aaron Kelly +1
Methods derived from the generalized quantum master equation (GQME) framework have provided the basis for elucidating energy and charge transfer in systems ranging from molecular s…
Capturing Vacuum Fluctuations and Photon Correlations in Cavity Quantum Electrodynamics with Multi-Trajectory Ehrenfest Dynamics
Norah M. Hoffmann, Christian Schäfer, Angel Rubio +2
We describe vacuum fluctuations and photon-field correlations in interacting quantum mechanical light-matter systems, by generalizing the application of mixed quantum-classical dyn…
Mean Field Theory of Thermal Energy Transport in Molecular Junctions
Aaron Kelly
Mean field theory is applied to nonequilibrium thermal energy transport in a model molecular junction. An approximation to the total time-dependent heat current in the junction is…