LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism S Bonella, DF Coker The Journal of chemical physics 122 (19), 2005 | 161 | 2005 |

Semiclassical implementation of the mapping Hamiltonian approach for nonadiabatic dynamics using focused initial distribution sampling S Bonella, DF Coker The Journal of chemical physics 118 (10), 4370-4385, 2003 | 99 | 2003 |

A semiclassical limit for the mapping Hamiltonian approach to electronically nonadiabatic dynamics S Bonella, DF Coker The Journal of Chemical Physics 114 (18), 7778-7789, 2001 | 95 | 2001 |

Linearized path integral approach for calculating nonadiabatic time correlation functions S Bonella, D Montemayor, DF Coker Proceedings of the National Academy of Sciences 102 (19), 6715-6719, 2005 | 88 | 2005 |

Iterative linearized approach to nonadiabatic dynamics ER Dunkel, S Bonella, DF Coker The Journal of chemical physics 129 (11), 2008 | 82 | 2008 |

MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems A Marin-Laflèche, M Haefele, L Scalfi, A Coretti, T Dufils, G Jeanmairet, ... Journal of Open Source Software 5 (53), 2373, 2020 | 72 | 2020 |

Analysis of the quantum-classical Liouville equation in the mapping basis A Nassimi, S Bonella, R Kapral The Journal of chemical physics 133 (13), 2010 | 70 | 2010 |

Charge fluctuations from molecular simulations in the constant-potential ensemble L Scalfi, DT Limmer, A Coretti, S Bonella, PA Madden, M Salanne, ... Physical Chemistry Chemical Physics 22 (19), 10480-10489, 2020 | 63 | 2020 |

Theory and methods for rare events S Bonella, S Meloni, G Ciccotti The European Physical Journal B 85, 1-19, 2012 | 56 | 2012 |

Semi-classical implementation of mapping Hamiltonian methods for general non-adiabatic problems S Bonella, DF Coker Chemical Physics 268 (1-3), 189-200, 2001 | 46 | 2001 |

Linearization approximations and Liouville quantum–classical dynamics S Bonella, G Ciccotti, R Kapral Chemical Physics Letters 484 (4-6), 399-404, 2010 | 43 | 2010 |

Trajectory Study of Supercollision Relaxation in Highly Vibrationally Excited Pyrazine and CO_{2}Z Li, R Sansom, S Bonella, DF Coker, AS Mullin The Journal of Physical Chemistry A 109 (34), 7657-7666, 2005 | 41 | 2005 |

Hydration structure of the quaternary ammonium cations WI Babiaczyk, S Bonella, L Guidoni, G Ciccotti The Journal of Physical Chemistry B 114 (46), 15018-15028, 2010 | 38 | 2010 |

The fluctuation–dissipation theorem as a diagnosis and cure for zero-point energy leakage in quantum thermal bath simulations E Mangaud, S Huppert, T Plé, P Depondt, S Bonella, F Finocchi Journal of chemical theory and computation 15 (5), 2863-2880, 2019 | 33 | 2019 |

Path integral based calculations of symmetrized time correlation functions. II S Bonella, M Monteferrante, C Pierleoni, G Ciccotti The Journal of chemical physics 133 (16), 2010 | 33 | 2010 |

An Adiabatic Linearized Path Integral Approach for Quantum Time Correlation Functions: Electronic Transport in Metal− Molten Salt Solutions MS Causo, G Ciccotti, D Montemayor, S Bonella, DF Coker The Journal of Physical Chemistry B 109 (14), 6855-6865, 2005 | 28 | 2005 |

Computing thermal Wigner densities with the phase integration method J Beutier, D Borgis, R Vuilleumier, S Bonella The Journal of Chemical Physics 141 (8), 2014 | 27 | 2014 |

Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates M Monteferrante, S Bonella, S Meloni, E Vanden-Eijnden, G Ciccotti Scientific Modeling and Simulations, 187-206, 2009 | 26 | 2009 |

Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics M Basire, F Mouhat, G Fraux, A Bordage, JL Hazemann, M Louvel, ... The Journal of Chemical Physics 146 (13), 2017 | 24 | 2017 |

Time reversal symmetry in time-dependent correlation functions for systems in a constant magnetic field S Bonella, G Ciccotti, L Rondoni Europhysics Letters 108 (6), 60004, 2015 | 23 | 2015 |