The low-lying electronic states of pentacene and their roles in singlet fission T Zeng, R Hoffmann, N Ananth Journal of the American Chemical Society 136 (15), 5755-5764, 2014 | 246 | 2014 |
A direct mechanism of ultrafast intramolecular singlet fission in pentacene dimers EG Fuemmeler, SN Sanders, AB Pun, E Kumarasamy, T Zeng, K Miyata, ... ACS central science 2 (5), 316-324, 2016 | 220 | 2016 |
Exact nonadditive kinetic potentials for embedded density functional theory JD Goodpaster, N Ananth, FR Manby, TF Miller The Journal of chemical physics 133 (8), 2010 | 203 | 2010 |
Tuning singlet fission in π-bridge-π chromophores E Kumarasamy, SN Sanders, MJY Tayebjee, A Asadpoordarvish, ... Journal of the American Chemical Society 139 (36), 12488-12494, 2017 | 178 | 2017 |
Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes N Ananth The Journal of chemical physics 139 (12), 2013 | 168 | 2013 |
Seeking small molecules for singlet fission: a heteroatom substitution strategy T Zeng, N Ananth, R Hoffmann Journal of the American Chemical Society 136 (36), 12638-12647, 2014 | 149 | 2014 |
Semiclassical description of electronically nonadiabatic dynamics via the initial value representation N Ananth, C Venkataraman, WH Miller The Journal of chemical physics 127 (8), 2007 | 134 | 2007 |
Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods AR Menzeleev, N Ananth, TF Miller The Journal of chemical physics 135 (7), 2011 | 133 | 2011 |
Exact quantum statistics for electronically nonadiabatic systems using continuous path variables N Ananth, TF Miller The Journal of chemical physics 133 (23), 2010 | 89 | 2010 |
Simulating excited state dynamics in systems with multiple avoided crossings using mapping variable ring polymer molecular dynamics JR Duke, N Ananth The Journal of Physical Chemistry Letters 6 (21), 4219-4223, 2015 | 56 | 2015 |
Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates JR Duke, N Ananth Faraday Discussions 195, 253-268, 2016 | 53 | 2016 |
Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation MS Church, TJH Hele, GS Ezra, N Ananth The Journal of chemical physics 148 (10), 2018 | 48 | 2018 |
Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach SV Antipov, Z Ye, N Ananth The Journal of chemical physics 142 (18), 2015 | 46 | 2015 |
Deriving the exact nonadiabatic quantum propagator in the mapping variable representation TJH Hele, N Ananth Faraday Discussions 195, 269-289, 2016 | 44 | 2016 |
Validating and implementing modified Filinov phase filtration in semiclassical dynamics MS Church, S Antipov, N Ananth The Journal of Chemical Physics 146, 234104, 2017 | 40 | 2017 |
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer S Pierre, JR Duke, TJH Hele, N Ananth The Journal of Chemical Physics 147 (23), 2017 | 39 | 2017 |
Anticipating acene-based chromophore spectra with molecular orbital arguments TJH Hele, EG Fuemmeler, SN Sanders, E Kumarasamy, MY Sfeir, ... The Journal of Physical Chemistry A 123 (13), 2527-2536, 2019 | 33 | 2019 |
Path integrals for nonadiabatic dynamics: Multistate ring polymer molecular dynamics N Ananth Annual Review of Physical Chemistry 73 (1), 299-322, 2022 | 25 | 2022 |
Flux-correlation approach to characterizing reaction pathways in quantum systems: a study of condensed-phase proton-coupled electron transfer N Ananth, TF Miller III Molecular Physics 110 (9-10), 1009-1015, 2012 | 24 | 2012 |
Direct simulation of electron transfer in the cobalt hexammine (II/III) self-exchange reaction RL Kenion, N Ananth Physical Chemistry Chemical Physics 18 (37), 26117-26124, 2016 | 23 | 2016 |