| Confronting surface hopping molecular dynamics with Marcus theory for a molecular donor–acceptor system J Spencer, L Scalfi, A Carof, J Blumberger Faraday discussions 195, 215-236, 2017 | 20 | 2017 |
| Structure and dynamics of water confined in imogolite nanotubes L Scalfi, G Fraux, A Boutin, FX Coudert Langmuir 34 (23), 6748-6756, 2018 | 13 | 2018 |
| 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 | 7 | 2020 |
| A semiclassical Thomas-Fermi model to tune the metallicity of electrodes in molecular simulations T Dufils, L Scalfi, M Salanne arXiv preprint arXiv:1910.13341, 2019 | 3 | 2019 |
| MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems A Marin-Laflèche, M Haefele, L Scalfi, A Coretti, T Dufils, S Reed, A Serva, ... ChemRxiv, 2020 | 2 | 2020 |
| 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), 194701, 2020 | 2 | 2020 |
| Molecular Simulation of Electrode-Solution Interfaces L Scalfi, M Salanne, B Rotenberg arXiv preprint arXiv:2008.11967, 2020 | | 2020 |
