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Aaron Kelly

Showing results (1-10 of 25) with videos related to

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Faraday Discussions|September 21, 2019
Exciton dissociation and charge separation at donor-acceptor interfaces from quantum-classical dynamics simulationsAaron Kelly
The Journal of Chemical Physics|June 3, 2019
Mean field theory of thermal energy transport in molecular junctionsAaron Kelly
The Journal of Chemical Physics|September 7, 2010
Quantum-classical description of environmental effects on electronic dynamics at conical intersectionsAaron Kelly, Raymond Kapral
The Journal of Physical Chemistry Letters|November 14, 2024
Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics SimulationsJonathan R Mannouch, Aaron Kelly
The Journal of Chemical Physics|July 5, 2013
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamicsAaron Kelly, Thomas E Markland
The Journal of Physical Chemistry Letters|May 23, 2024
Quantum Quality with Classical Cost: <i>Ab Initio</i> Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface HoppingJonathan R Mannouch, Aaron Kelly
The Journal of Chemical Physics|March 10, 2015
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equationsAaron Kelly, Nora Brackbill, Thomas E Markland
The Journal of Physical Chemistry Letters|March 23, 2021
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular DynamicsMaximilian A C Saller, Aaron Kelly, Eitan Geva
The Journal of Physical Chemistry. A|December 22, 2006
Quantum mechanical size and steric hindranceJoshua W Hollett, Aaron Kelly, Raymond A Poirier
The Journal of Physical Chemistry Letters|November 14, 2015
Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master EquationsWilliam C Pfalzgraff, Aaron Kelly, Thomas E Markland
Pageof 3

Showing results (1-10 of 25) with videos related to

Sort By:
Pageof 3
Faraday Discussions|September 21, 2019
Exciton dissociation and charge separation at donor-acceptor interfaces from quantum-classical dynamics simulationsAaron Kelly
The Journal of Chemical Physics|June 3, 2019
Mean field theory of thermal energy transport in molecular junctionsAaron Kelly
The Journal of Chemical Physics|September 7, 2010
Quantum-classical description of environmental effects on electronic dynamics at conical intersectionsAaron Kelly, Raymond Kapral
The Journal of Physical Chemistry Letters|November 14, 2024
Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics SimulationsJonathan R Mannouch, Aaron Kelly
The Journal of Chemical Physics|July 5, 2013
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamicsAaron Kelly, Thomas E Markland
The Journal of Physical Chemistry Letters|May 23, 2024
Quantum Quality with Classical Cost: <i>Ab Initio</i> Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface HoppingJonathan R Mannouch, Aaron Kelly
The Journal of Chemical Physics|March 10, 2015
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equationsAaron Kelly, Nora Brackbill, Thomas E Markland
The Journal of Physical Chemistry Letters|March 23, 2021
Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular DynamicsMaximilian A C Saller, Aaron Kelly, Eitan Geva
The Journal of Physical Chemistry. A|December 22, 2006
Quantum mechanical size and steric hindranceJoshua W Hollett, Aaron Kelly, Raymond A Poirier
The Journal of Physical Chemistry Letters|November 14, 2015
Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master EquationsWilliam C Pfalzgraff, Aaron Kelly, Thomas E Markland
Pageof 3