| Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics A Kelly, TE Markland The Journal of chemical physics 139 (1), 2013 | 126 | 2013 |
| Mapping quantum-classical Liouville equation: Projectors and trajectories A Kelly, R Van Zon, J Schofield, R Kapral The Journal of chemical physics 136 (8), 2012 | 122 | 2012 |
| All-atom semiclassical dynamics study of quantum coherence in photosynthetic Fenna–Matthews–Olson complex HW Kim, A Kelly, JW Park, YM Rhee Journal of the American Chemical Society 134 (28), 11640-11651, 2012 | 81 | 2012 |
| Generalized quantum master equations in and out of equilibrium: When can one win? A Kelly, A Montoya-Castillo, L Wang, TE Markland The Journal of chemical physics 144 (18), 2016 | 75 | 2016 |
| Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations A Kelly, N Brackbill, TE Markland The Journal of Chemical Physics 142 (9), 2015 | 74 | 2015 |
| On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics MAC Saller, A Kelly, JO Richardson The Journal of chemical physics 150 (7), 2019 | 66 | 2019 |
| Mixed Quantum-Classical Description of Excitation Energy Transfer in a Model Fenna− Matthews− Olsen Complex A Kelly, YM Rhee The Journal of Physical Chemistry Letters 2 (7), 808-812, 2011 | 64 | 2011 |
| Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics X Gao, MAC Saller, Y Liu, A Kelly, JO Richardson, E Geva Journal of Chemical Theory and Computation, 2020 | 59 | 2020 |
| Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference NM Hoffmann, C Schäfer, N Säkkinen, A Rubio, H Appel, A Kelly The Journal of chemical physics 151 (24), 244113, 2019 | 54 | 2019 |
| Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics NM Hoffmann, C Schäfer, A Rubio, A Kelly, H Appel Physical Review A 99 (6), 063819, 2019 | 54 | 2019 |
| Improved population operators for multi-state nonadiabatic dynamics with the mixed quantum-classical mapping approach MAC Saller, A Kelly, JO Richardson Faraday Discussions 221, 150-167, 2020 | 49 | 2020 |
| Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics WC Pfalzgraff, A Montoya-Castillo, A Kelly, TE Markland The Journal of Chemical Physics 150 (24), 2019 | 46 | 2019 |
| Nonadiabatic dynamics in atomistic environments: Harnessing quantum-classical theory with generalized quantum master equations WC Pfalzgraff, A Kelly, TE Markland The Journal of Physical Chemistry Letters 6 (23), 4743-4748, 2015 | 43 | 2015 |
| Quantum Dynamics in Almost Classical Environments R Grunwald, A Kelly, R Kapral Energy Transfer Dynamics in Biomaterial Systems, 383, 2009 | 38* | 2009 |
| Quantum-classical description of environmental effects on electronic dynamics at conical intersections A Kelly, R Kapral The Journal of chemical physics 133 (8), 2010 | 36 | 2010 |
| Benchmarking quasiclassical mapping Hamiltonian methods for simulating cavity-modified molecular dynamics MAC Saller, A Kelly, E Geva The Journal of Physical Chemistry Letters 12 (12), 3163-3170, 2021 | 29 | 2021 |
| Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics SA Sato, A Kelly, A Rubio Physical Review B 97 (13), 134308, 2018 | 19 | 2018 |
| Quantum mechanical size and steric hindrance JW Hollett, A Kelly, RA Poirier The Journal of Physical Chemistry A 110 (51), 13884-13888, 2006 | 19 | 2006 |
| Nonadiabatic Quantum Dynamics without Potential Energy Surfaces G Albareda, A Kelly, A Rubio Physical Review Materials 3 (2), 023803, 2019 | 18 | 2019 |
| Quasiclassical approaches to the generalized quantum master equation G Amati, MAC Saller, A Kelly, JO Richardson The Journal of Chemical Physics 157 (23), 2022 | 13 | 2022 |
Thomas MarklandAssociate Professor of Chemistry, Stanford University在 stanford.edu 的电子邮件经过验证
