Laura Scalfi
Laura Scalfi
PHENIX (UMR 8234), Sorbonne Université, CNRS
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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
Structure and dynamics of water confined in imogolite nanotubes
L Scalfi, G Fraux, A Boutin, FX Coudert
Langmuir 34 (23), 6748-6756, 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
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
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
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
Molecular Simulation of Electrode-Solution Interfaces
L Scalfi, M Salanne, B Rotenberg
arXiv preprint arXiv:2008.11967, 2020
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