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2026 Excited State Charge and Energy Transfer Mechanisms from Modern Semiclassical Theory Nandini Ananth · APS Global Physics Summit · Scholar only 2026 Helical Complex Ladder Polymer with Amplification of Asymmetry Nandini Ananth · Journal of the American Chemical Society · Scholar only 2 2026 Hybrid quantum algorithm for simulating real-time thermal correlation functions Nandini Ananth · Digital Discovery · Scholar only 1 2026 MixPI: Mixed-time slicing path integral software for quantized molecular dynamics simulations Nandini Ananth · The Journal of chemical physics · Scholar only 2 2026 Modulating radical propagation in proteins by proton-coupled electron transfer and hydrogen bonding Nandini Ananth · bioRxiv · Scholar only 2026 Radical Localization and Hole Transfer in CcP: Cc Protein Complex Nandini Ananth · Path Integral Quantum Mechanics in the Era of Machine Learning · Scholar only 2024 A linearized semiclassical dynamics study of the multiquantum vibrational relaxation of NO scattering from a Au (111) surface Nandini Ananth · The Journal of Physical Chemistry Letters · Scholar only 15 2024 GPU-accelerated on-the-fly nonadiabatic semiclassical dynamics Nandini Ananth · The Journal of Chemical Physics · Scholar only 11 2024 Mean-field ring polymer rates using a population dividing surface Nandini Ananth · The Journal of Physical Chemistry A · Scholar only 8 2024 Semiclassical dynamics in Wigner phase space I: Adiabatic hybrid Wigner dynamics Nandini Ananth · The Journal of Chemical Physics · Scholar only 4 2024 Semiclassical dynamics in Wigner phase space II: Nonadiabatic hybrid Wigner dynamics Nandini Ananth · Journal of Chemical Physics · Scholar only 3 2023 Nonadiabatic simulations of photoisomerization and dissociation in ethylene using ab initio classical trajectories Nandini Ananth · The Journal of Chemical Physics · Scholar only 15 2023 Non-linear correlation functions and zero-point energy flow in mixed quantum–classical semiclassical dynamics Nandini Ananth · The Journal of Chemical Physics · Scholar only 7 2022 A semiclassical framework for mixed quantum classical dynamics Nandini Ananth · The Journal of Physical Chemistry A · Scholar only 25 2022 Path integrals for nonadiabatic dynamics: multistate ring polymer molecular dynamics Nandini Ananth · Annual Review of Physical Chemistry · Scholar only 46 2022 Singlet fission and triplet pair recombination in bipentacenes with a twist Nandini Ananth · Materials Horizons · Scholar only 37 2022 Singularity-free internal conversion golden-rule rate with application to correlated triplet pair recombination in bipentacenes Nandini Ananth · The Journal of Chemical Physics · Scholar only 9 2021 Investigating the stability and accuracy of a classical mapping variable Hamiltonian for nonadiabatic quantum dynamics Nandini Ananth · Regular and Chaotic Dynamics · Scholar only 7 2020 Multistate ring polymer instantons and nonadiabatic reaction rates Nandini Ananth · The Journal of Chemical Physics · Scholar only 23 2019 Anticipating acene-based chromophore spectra with molecular orbital arguments Nandini Ananth · The Journal of Physical Chemistry A · Scholar only 53 2019 Semiclassical dynamics in the mixed quantum-classical limit Nandini Ananth · The Journal of chemical physics · Scholar only 24 2018 Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation Nandini Ananth · The Journal of Chemical Physics · Scholar only 68 2018 Theoretical investigations of singlet fission: Mechanisms and molecules Nandini Ananth · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only 2017 A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer Nandini Ananth · The Journal of Chemical Physics · Scholar only 40 2017 Charge transfer dynamics, excited state energetics, and organic photovoltaics Nandini Ananth · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only 2017 Path Integral Methods for Nonadiabatic Dynamics: Quantum Transitions from Classical Trajectories Nandini Ananth · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only 2017 Theoretical investigation of singlet fission: Uncovering mechanisms and designing molecules Nandini Ananth · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only 2017 Tuning singlet fission in π-bridge-π chromophores Nandini Ananth · Journal of the American Chemical Society · Scholar only 207 2017 Validating and implementing modified Filinov phase filtration in semiclassical dynamics Nandini Ananth · The Journal of Chemical Physics · Scholar only 47 2016 A Direct Mechanism of Ultrafast Intramolecular Singlet Fission in Pentacene Dimers Nandini Ananth · ACS Central Science · Scholar only 258 2016 Deriving the exact nonadiabatic quantum propagator in the mapping variable representation Nandini Ananth · Faraday Discussions · Scholar only 49 2016 Direct simulation of electron transfer in the cobalt hexammine(ii/iii) self-exchange reaction Nandini Ananth · Physical Chemistry Chemical Physics · Scholar only 25 2016 Mean field ring polymer molecular dynamics for electronically nonadiabatic reaction rates Nandini Ananth · Faraday Discussions · Scholar only 59 2016 Mechanisms of singlet fission in organic chromophores: A theoretical study Nandini Ananth · ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY · Scholar only 2016 Non-adiabatic reactions: general discussion Nandini Ananth · Faraday Discussions · Scholar only 26 2015 Anomalous Orbital Admixture in Ammine Complexes Nandini Ananth · Journal of Organometallic Chemistry · Scholar only 4 2015 Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach Nandini Ananth · The Journal of chemical physics · Scholar only 53 2015 Simulating excited state dynamics in systems with multiple avoided crossings using mapping variable ring polymer molecular dynamics Nandini Ananth · The Journal of Physical Chemistry Letters · Scholar only 62 2015 Tuning the ground state symmetry of acetylenyl radicals Nandini Ananth · ACS central science · Scholar only 6 2014 Seeking small molecules for singlet fission: a heteroatom substitution strategy Nandini Ananth · Journal of the American Chemical Society · Scholar only 172 2014 The low-lying electronic states of pentacene and their roles in singlet fission Nandini Ananth · Journal of the American Chemical Society · Scholar only 279 2014 Tuning spin-states of carbynes and silylynes: A long jump with one leg Nandini Ananth · Journal of the American Chemical Society · Scholar only 16 2013 Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes Nandini Ananth · The Journal of chemical physics · Scholar only 191 2012 Flux-correlation approach to characterizing reaction pathways in quantum systems: a study of condensed-phase proton-coupled electron transfer Nandini Ananth · Molecular Physics · Scholar only 26 2011 Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods Nandini Ananth · The Journal of chemical physics · Scholar only 146 2010 Exact nonadditive kinetic potentials for embedded density functional theory Nandini Ananth · The Journal of chemical physics · Scholar only 225 2010 Exact quantum statistics for electronically nonadiabatic systems using continuous path variables Nandini Ananth · The Journal of chemical physics · Scholar only 94 2007 Semiclassical description of electronically nonadiabatic dynamics via the initial value representation Nandini Ananth · The Journal of chemical physics · Scholar only 158
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2026 · article

Excited State Charge and Energy Transfer Mechanisms from Modern Semiclassical Theory

APS Global Physics Summit · Nandini Ananth

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title Excited State Charge and Energy Transfer Mechanisms from Modern Semiclassical Theory (used)
year 2026 (used)
venue APS Global Physics Summit (used)
kind other (used)
first author Ananth (used)

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