Aaron Kelly

发表

Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master Equations.

Thomas E. Markland, William C Pfalzgraff, Aaron Kelly, 2015, The journal of physical chemistry letters.

Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations.

Thomas E. Markland, N. Brackbill, Aaron Kelly, 2015, The Journal of chemical physics.

Mapping quantum-classical Liouville equation: projectors and trajectories.

R. Kapral, Aaron Kelly, R. van Zon, 2012, The Journal of chemical physics.

All-atom semiclassical dynamics study of quantum coherence in photosynthetic Fenna-Matthews-Olson complex.

Y. M. Rhee, J. Park, Aaron Kelly, 2012, Journal of the American Chemical Society.

Simulating Vibronic Spectra without Born–Oppenheimer Surfaces

Shunsuke A. Sato, Á. Rubio, G. Albareda, 2021, The journal of physical chemistry letters.

On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2018, The Journal of chemical physics.

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

Shunsuke A. Sato, Á. Rubio, Aaron Kelly, 2017, 1711.08197.

Quasiclassical approaches to the generalized quantum master equation

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2022, 2209.01076.

Quasiclassical approaches to the generalized quantum master equation.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2022, The Journal of chemical physics.

Quantum-classical description of environmental effects on electronic dynamics at conical intersections.

Raymond Kapral, Aaron Kelly, R. Kapral, 2010, The Journal of chemical physics.

Mean field theory of thermal energy transport in molecular junctions.

Aaron Kelly, 2019, The Journal of chemical physics.

Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics.

Aaron Kelly, Thomas E Markland, Aaron Kelly, 2013, The Journal of chemical physics.

Quantum Dynamics in Almost Classical Environments

Raymond Kapral, Aaron Kelly, R. Kapral, 2009 .

Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics.

Aaron Kelly, Thomas E Markland, Andrés Montoya-Castillo, 2019, The Journal of chemical physics.

Generalized quantum master equations in and out of equilibrium: When can one win?

Lu Wang, Aaron Kelly, Thomas E Markland, 2016, The Journal of chemical physics.

Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference.

H. Appel, Á. Rubio, Aaron Kelly, 2019, The Journal of chemical physics.

Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics.

Maximilian A C Saller, Eitan Geva, Aaron Kelly, 2021, The journal of physical chemistry letters.

Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach.

Maximilian A C Saller, Jeremy O. Richardson, Aaron Kelly, 2019, Faraday discussions.

CHARGE AND ENERGY TRANSFER PROCESSES: OPEN PROBLEMS IN OPEN QUANTUM SYSTEMS

M. Merkli, Aaron Kelly, 2019 .

Exciton dissociation and charge separation at donor-acceptor interfaces from quantum-classical dynamics simulations.

Aaron Kelly, 2019, Faraday discussions.

Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics.

Maximilian A C Saller, Jeremy O. Richardson, Eitan Geva, 2020, Journal of chemical theory and computation.

Conditional Wave Function Theory: A Unified Treatment of Molecular Structure and Nonadiabatic Dynamics

Shunsuke A. Sato, Á. Rubio, G. Albareda, 2021, Journal of chemical theory and computation.

Nonadiabatic quantum dynamics without potential energy surfaces

Á. Rubio, G. Albareda, Aaron Kelly, 2018, Physical Review Materials.

Revealing ultrafast phonon mediated inter-valley scattering through transient absorption and high harmonic spectroscopies

G. Albareda, Aaron Kelly, Kevin Lively, 2023, Physical Review Research.

Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics

H. Appel, Á. Rubio, Aaron Kelly, 2019, Physical Review A.

Mixed Quantum-Classical Description of Excitation Energy Transfer in a Model Fenna-Matthews-Olsen Complex

Y. M. Rhee, Aaron Kelly, 2011 .

Behavior of Poisson Bracket Mapping Equation in Studying Excitation Energy Transfer Dynamics of Cryptophyte Phycocyanin 645 Complex

Y. M. Rhee, Aaron Kelly, Weon-Gyu Lee, 2012 .

Exciton dissociation and charge separation at donor-acceptor interfaces from quantum-classical dynamics simulations.

Aaron Kelly, 2019, Faraday discussions.

Generalized quantum master equations in and out of equilibrium: When can one win?

Aaron Kelly, Lu Wang, Andrés Montoya-Castillo, 2016, The Journal of chemical physics.

Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics.

Aaron Kelly, T. Markland, 2013, The Journal of chemical physics.