Aaron Kelly
Affiliations: | 2017- | Chemistry | Dalhousie University, Halifax, Nova Scotia, Canada |
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Parents
Sign in to add mentor| Raymond E. Kapral | grad student | 2004-2010 | University of Toronto (Physics Tree) |
| Thomas E. Markland | post-doc | 2011-2015 | Stanford |
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Publications
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| Mannouch JR, Kelly A. (2024) Toward a Correct Description of Initial Electronic Coherence in Nonadiabatic Dynamics Simulations. The Journal of Physical Chemistry Letters. 15: 11687-11695 |
| Mannouch JR, Kelly A. (2024) Quantum Quality with Classical Cost: Nonadiabatic Dynamics Simulations Using the Mapping Approach to Surface Hopping. The Journal of Physical Chemistry Letters. 5814-5823 |
| Amati G, Saller MAC, Kelly A, et al. (2022) Quasiclassical approaches to the generalized quantum master equation. The Journal of Chemical Physics. 157: 234103 |
| Saller MAC, Kelly A, Geva E. (2021) Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics. The Journal of Physical Chemistry Letters. 3163-3170 |
| Lively K, Albareda G, Sato SA, et al. (2021) Simulating Vibronic Spectra without Born-Oppenheimer Surfaces. The Journal of Physical Chemistry Letters. 3074-3081 |
| Gao X, Sallerr MAC, Liu Y, et al. (2020) Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics. Journal of Chemical Theory and Computation |
| Hoffmann NM, Schäfer C, Säkkinen N, et al. (2019) Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference. The Journal of Chemical Physics. 151: 244113 |
| Althorpe SC, Barford W, Blumberger J, et al. (2019) Emerging opportunities and future directions: general discussion. Faraday Discussions |
| Saller MAC, Kelly A, Richardson JO. (2019) Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach. Faraday Discussions |
| Kelly A. (2019) Exciton dissociation and charge separation at donor-acceptor interfaces from quantum-classical dynamics simulations. Faraday Discussions |