Understanding the surface hopping view of electronic transitions and decoherence JE Subotnik, A Jain, B Landry, A Petit, W Ouyang, N Bellonzi Annual review of physical chemistry 67 (1), 387-417, 2016 | 405 | 2016 |

An efficient, augmented surface hopping algorithm that includes decoherence for use in large-scale simulations A Jain, E Alguire, JE Subotnik Journal of chemical theory and computation 12 (11), 5256-5268, 2016 | 135 | 2016 |

Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance A Jain, JE Subotnik The Journal of Chemical Physics 143 (13), 2015 | 87 | 2015 |

An assessment of mean-field mixed semiclassical approaches: Equilibrium populations and algorithm stability N Bellonzi, A Jain, JE Subotnik The Journal of chemical physics 144 (15), 2016 | 68 | 2016 |

Vibrational energy relaxation: A benchmark for mixed quantum–classical methods A Jain, JE Subotnik The Journal of Physical Chemistry A 122 (1), 16-27, 2018 | 33 | 2018 |

Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility A Jain, MF Herman, W Ouyang, JE Subotnik The Journal of Chemical Physics 143 (13), 2015 | 26 | 2015 |

Does nonadiabatic transition state theory make sense without decoherence? A Jain, JE Subotnik The Journal of Physical Chemistry Letters 6 (23), 4809-4814, 2015 | 25 | 2015 |

Pedagogical overview of the fewest switches surface hopping method A Jain, A Sindhu ACS omega 7 (50), 45810-45824, 2022 | 22 | 2022 |

Dynamics of barrier crossings for the generalized Anderson–Holstein model: Beyond electronic friction and conventional surface hopping W Ouyang, W Dou, A Jain, JE Subotnik Journal of chemical theory and computation 12 (9), 4178-4183, 2016 | 21 | 2016 |

Ultrafast electronic relaxation through a conical intersection: Nonadiabatic dynamics disentangled through an oscillator strength-based diabatization framework GR Medders, EC Alguire, A Jain, JE Subotnik The Journal of Physical Chemistry A 121 (7), 1425-1434, 2017 | 20 | 2017 |

Simple and efficient theoretical approach to compute 2D optical spectra A Jain, AS Petit, JM Anna, JE Subotnik The Journal of Physical Chemistry B 123 (7), 1602-1617, 2019 | 19 | 2019 |

Tunneling splittings in formic acid dimer: an adiabatic approximation to the Herring formula A Jain, EL Sibert The Journal of Chemical Physics 142 (8), 2015 | 15 | 2015 |

Libra: A modular software library for quantum nonadiabatic dynamics M Shakiba, B Smith, W Li, M Dutra, A Jain, X Sun, S Garashchuk, ... Software Impacts 14, 100445, 2022 | 14 | 2022 |

Benchmarking the surface hopping method to include nuclear quantum effects A Sindhu, A Jain Journal of Chemical Theory and Computation 17 (2), 655-665, 2021 | 14 | 2021 |

Coherence and efficient energy transfer in molecular wires: Insights from surface hopping simulations A Sindhu, A Jain ChemPhysChem 23 (24), e202200392, 2022 | 8 | 2022 |

Hierarchical equations of motion in the Libra software package S Temen, A Jain, AV Akimov International Journal of Quantum Chemistry 120 (22), e26373, 2020 | 8 | 2020 |

Detailed Balance and Independent Electron Surface-Hopping Method: The Importance of Decoherence and Correct Calculation of Diabatic Populations CS Pradhan, A Jain Journal of Chemical Theory and Computation 18 (8), 4615-4626, 2022 | 7 | 2022 |

Metal-induced fast vibrational energy relaxation: Quantum nuclear effects captured in diabatic independent electron surface hopping (IESH-D) method PK De, A Jain The Journal of Physical Chemistry A 127 (18), 4166-4179, 2023 | 4 | 2023 |

Quantum localization, dephasing and vibrational energy flow in a trans-formanilide (TFA)–H2O complex JK Agbo, A Jain, DM Leitner Chemical Physics 374 (1-3), 111-117, 2010 | 4 | 2010 |

An efficient decoherence scheme for fewest switches surface hopping method A Sindhu, A Jain The Journal of Chemical Physics 158 (15), 2023 | 3 | 2023 |