Publications

Publications of A. Kelly

Journal Article (9)

2024
Journal Article
K. Lively, S. Sato, G. Albareda Piquer, A. Rubio, and A. Kelly, Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies, Physical Review Research 6 (1), 013069 (2024).
2022
Journal Article
G. Amati, M. A. C. Saller, A. Kelly, and J. O. Richardson, Quasiclassical approaches to the generalized quantum master equation, The Journal of Chemical Physics 157 (23), 234103 (2022).
2021
Journal Article
G. Albareda Piquer, K. Lively, S. Sato, A. Kelly, and A. Rubio, 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
K. Lively, G. Albareda Piquer, S. Sato, A. Kelly, and A. Rubio, Simulating Vibronic Spectra without Born–Oppenheimer Surfaces, The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021).
Journal Article
M. A. C. Saller, A. Kelly, and E. Geva, Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics, The Journal of Physical Chemistry Letters 12 (12), 3163–3170 (2021).
2019
Journal Article
N. Hoffmann, C. Schäfer, N. Säkkinen, A. Rubio, H. Appel, and A. Kelly, 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
N. Hoffmann, C. Schäfer, A. Rubio, A. Kelly, and H. Appel, Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics, Physical Review A 99 (6), 063819 (2019).
Journal Article
G. Albareda Piquer, A. Kelly, and A. Rubio, Nonadiabatic quantum dynamics without potential energy surfaces, Physical Review Materials 3 (2), 023803 (2019).
2016
Journal Article
A. Kelly, A. Montoya-Castillo, L. Wang, and T. E. Markland, Generalized quantum master equations in and out of equilibrium: When can one win?, The Journal of Chemical Physics 144 (18), 184105 (2016).
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