Publikationen von A. Kelly
Alle Typen
Zeitschriftenartikel (12)
2024
Zeitschriftenartikel
Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics Simulations
The Journal of Physical Chemistry Letters 15 (46), 11687–11695 (2024)
Zeitschriftenartikel
Quantum Quality with Classical Cost: Ab Initio Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface Hopping
The Journal of Physical Chemistry Letters 15 (22), 5814–5823 (2024)
Zeitschriftenartikel
A MASH simulation of the photoexcited dynamics of cyclobutanone
, , J. Mannouch, , , A. Kelly,
The Journal of Chemical Physics 160 (17), 174306 (2024)
Zeitschriftenartikel
Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies
Physical Review Research 6 (1), 013069 (2024)
2022
Zeitschriftenartikel
Quasiclassical approaches to the generalized quantum master equation
, , A. Kelly,
The Journal of Chemical Physics 157 (23), 234103 (2022)
2021
Zeitschriftenartikel
Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics
Journal of Chemical Theory and Computation 17 (12), 7321–7340 (2021)
Zeitschriftenartikel
Simulating Vibronic Spectra without Born–Oppenheimer Surfaces
The Journal of Physical Chemistry Letters 12 (12), 3074–3081 (2021)
Zeitschriftenartikel
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics
, A. Kelly,
The Journal of Physical Chemistry Letters 12 (12), 3163–3170 (2021)
2019
Zeitschriftenartikel
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
The Journal of Chemical Physics 151 (24), 244113 (2019)
Zeitschriftenartikel
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
Physical Review A 99 (6), 063819 (2019)
Zeitschriftenartikel
Nonadiabatic quantum dynamics without potential energy surfaces
Physical Review Materials 3 (2), 023803 (2019)
2016
Zeitschriftenartikel
Generalized quantum master equations in and out of equilibrium: When can one win?
A. Kelly, , ,
The Journal of Chemical Physics 144 (18), 184105 (2016)