| LAND-map, a linearized approach to nonadiabatic dynamics using the mapping formalism S Bonella, DF Coker The Journal of chemical physics 122 (19), 194102, 2005 | 159 | 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 | 90 | 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 | 88 | 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 | 87 | 2005 |
| Iterative linearized approach to nonadiabatic dynamics ER Dunkel, S Bonella, DF Coker The Journal of chemical physics 129 (11), 114106, 2008 | 78 | 2008 |
| Analysis of the quantum-classical Liouville equation in the mapping basis A Nassimi, S Bonella, R Kapral The Journal of chemical physics 133 (13), 134115, 2010 | 65 | 2010 |
| 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 | 51 | 2020 |
| 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 | 50 | 2020 |
| Theory and methods for rare events S Bonella, S Meloni, G Ciccotti The European Physical Journal B 85, 1-19, 2012 | 50 | 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 | 44 | 2001 |
| Trajectory Study of Supercollision Relaxation in Highly Vibrationally Excited Pyrazine and CO2 Z Li, R Sansom, S Bonella, DF Coker, AS Mullin The Journal of Physical Chemistry A 109 (34), 7657-7666, 2005 | 41 | 2005 |
| Linearization approximations and Liouville quantum–classical dynamics S Bonella, G Ciccotti, R Kapral Chemical Physics Letters 484 (4-6), 399-404, 2010 | 39 | 2010 |
| 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 |
| 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), 164105, 2010 | 33 | 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 | 26 | 2019 |
| Computing thermal Wigner densities with the phase integration method J Beutier, D Borgis, R Vuilleumier, S Bonella The Journal of Chemical Physics 141 (8), 084102, 2014 | 26 | 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 | 25 | 2009 |
| 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 | 25 | 2005 |
| Linearized symmetrized quantum time correlation functions calculation via phase pre-averaging M Monteferrante, S Bonella, G Ciccotti Molecular Physics 109 (23-24), 3015-3027, 2011 | 23 | 2011 |
| 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), 134102, 2017 | 22 | 2017 |
