Publications of A. Kelly

Journal Article (7)

2021
Journal Article
Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics
Journal of Chemical Theory and Computation 17 (12), 7321–7340 (2021)
Journal Article
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021)
Journal Article
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics
M. A. C. Saller, A. Kelly, E. Geva
The Journal of Physical Chemistry Letters 12 (12), 3163–3170 (2021)
2019
Journal Article
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
The Journal of Chemical Physics 151 (24), 244113 (2019)
Journal Article
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
Physical Review A 99 (6), 063819 (2019)
Journal Article
Nonadiabatic quantum dynamics without potential energy surfaces
Physical Review Materials 3 (2), 023803 (2019)
2016
Journal Article
Generalized quantum master equations in and out of equilibrium: When can one win?
A. Kelly, A. Montoya-Castillo, L. Wang, T. E. Markland
The Journal of Chemical Physics 144 (18), 184105 (2016)

Working Paper (1)

2022
Working Paper
Quasiclassical approaches to the generalized quantum master equation
G. Amati, M. A. C. Saller, A. Kelly, J. O. Richardson
(2022)
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