Assistant Research Professor

Publications

On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
MAC Saller, A Kelly, JO Richardson
J Chem Phys
(2019)
150
Light-matter interactions in optical cavities beyond the classical Maxwell description
N Hoffmann, A Kelly, C Schaefer, H Appel, N Maitra, A Rubio
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics
SA Sato, A Kelly, A Rubio
Physical Review B
(2018)
97
Generalized quantum master equations in and out of equilibrium: When can one win?
A Kelly, A Montoya-Castillo, L Wang, TE Markland
J Chem Phys
(2016)
144
Efficient and accurate nonadiabatic quantum dynamics in atomistic condensed phase systems using the generalized quantum master equation
W Pfalzgraff, A Kelly, T Markland
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2016)
251
Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master Equations
WC Pfalzgraff, A Kelly, TE Markland
J Phys Chem Lett
(2015)
6
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.
A Kelly, N Brackbill, TE Markland
J Chem Phys
(2015)
142
Electric field effects on the selectivity and dynamics of surface-bound heterogeneous catalysts
WC Pfalzgraff, A Kelly, TE Markland
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Efficient and accurate surface hopping for long time non-adiabatic quantum dynamics
AT Kelly, TE Markland
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2013)
246
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics.
A Kelly, TE Markland
The Journal of Chemical Physics
(2013)
139

Research Interest Group

Email address