| 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 | 21 | 2017 |
| Structure and dynamics of water confined in imogolite nanotubes L Scalfi, G Fraux, A Boutin, FX Coudert Langmuir 34 (23), 6748-6756, 2018 | 18 | 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 | 14 | 2020 |
| 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 | 11 | 2020 |
| A semiclassical Thomas–Fermi model to tune the metallicity of electrodes in molecular simulations L Scalfi, T Dufils, KG Reeves, B Rotenberg, M Salanne The Journal of Chemical Physics 153 (17), 174704, 2020 | 6* | 2020 |
| Molecular simulation of electrode-solution interfaces L Scalfi, M Salanne, B Rotenberg Annual Review of Physical Chemistry 72, 2020 | 6 | 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 | 4 | 2020 |
| Microscopic origin of the effect of substrate metallicity on interfacial free energies L Scalfi, B Rotenberg arXiv preprint arXiv:2105.06799, 2021 | | 2021 |
| On the Gibbs–Thomson equation for the crystallization of confined fluids L Scalfi, B Coasne, B Rotenberg The Journal of Chemical Physics 154 (11), 114711, 2021 | | 2021 |
