| 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 | 96 | 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 | 77 | 2020 |
| MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes A Coretti, C Bacon, R Berthin, A Serva, L Scalfi, I Chubak, K Goloviznina, ... The Journal of Chemical Physics 157 (18), 2022 | 39 | 2022 |
| Conditioning Boltzmann generators for rare event sampling S Falkner, A Coretti, S Romano, PL Geissler, C Dellago Machine Learning: Science and Technology 4 (3), 035050, 2023 | 21* | 2023 |
| Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems A Coretti, L Scalfi, C Bacon, B Rotenberg, R Vuilleumier, G Ciccotti, ... The Journal of Chemical Physics 152 (19), 2020 | 21 | 2020 |
| Communication: Constrained molecular dynamics for polarizable models A Coretti, S Bonella, G Ciccotti The Journal of chemical physics 149 (19), 2018 | 20 | 2018 |
| Adiabatic motion and statistical mechanics via mass-zero constrained dynamics S Bonella, A Coretti, R Vuilleumier, G Ciccotti Physical Chemistry Chemical Physics 22 (19), 10775-10785, 2020 | 19 | 2020 |
| Time-reversal symmetry for systems in a constant external magnetic field S Bonella, A Coretti, L Rondoni, G Ciccotti Physical Review E 96 (1), 012160, 2017 | 17 | 2017 |
| Time reversal and symmetries of time correlation functions A Coretti, S Bonella, L Rondoni, G Ciccotti Molecular Physics 116 (21-22), 3097-3103, 2018 | 16 | 2018 |
| Fluctuation relations for systems in a constant magnetic field A Coretti, L Rondoni, S Bonella Physical Review E 102 (3), 030101, 2020 | 11 | 2020 |
| Learning mappings between equilibrium states of liquid systems using normalizing flows A Coretti, S Falkner, P Geissler, C Dellago arXiv preprint arXiv:2208.10420, 2022 | 8 | 2022 |
| Fluctuation relations for dissipative systems in constant external magnetic field: Theory and molecular dynamics simulations A Coretti, L Rondoni, S Bonella Entropy 23 (2), 146, 2021 | 8 | 2021 |
| Mass-Zero constrained dynamics and statistics for the shell model in magnetic field DD Girardier, A Coretti, G Ciccotti, S Bonella The European Physical Journal B 94 (8), 158, 2021 | 5 | 2021 |
| Boltzmann Generators and the New Frontier of Computational Sampling in Many-Body Systems A Coretti, S Falkner, J Weinreich, C Dellago, OA von Lilienfeld arXiv preprint arXiv:2404.16566, 2024 | 4 | 2024 |
| Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange S Falkner, A Coretti, C Dellago Physical Review Letters 132 (12), 128001, 2024 | 4 | 2024 |
| Mass-zero constrained dynamics for simulations based on orbital-free density functional theory A Coretti, T Baird, R Vuilleumier, S Bonella The Journal of Chemical Physics 157 (21), 2022 | 2 | 2022 |
| Revisiting shooting point Monte Carlo methods for transition path sampling S Falkner, A Coretti, B Peters, PG Bolhuis, C Dellago arXiv preprint arXiv:2408.03054, 2024 | 1 | 2024 |
| Erratum: Fluctuation relations for systems in a constant magnetic field [Phys. Rev. E 102, 030101(R) (2020)] A Coretti, L Rondoni, S Bonella Physical Review E 103 (2), 029902, 2021 | 1 | 2021 |
| Time-Reversal Symmetry and Charge Transport in External Fields: Theoretical Features and Simulation Techniques A Coretti Università degli Studi di Torino, 2021 | | 2021 |
Sara BonellaDeputy Director, Centre Europeen de Calcul Atomique et Moleculaire EPF-LausanneVerified email at epfl.ch
