Laura Scalfi
Laura Scalfi
PHENIX (UMR 8234), Sorbonne Université, CNRS
Adresse e-mail validée de sorbonne-universite.fr
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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
212017
Structure and dynamics of water confined in imogolite nanotubes
L Scalfi, G Fraux, A Boutin, FX Coudert
Langmuir 34 (23), 6748-6756, 2018
182018
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
92020
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
52020
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
3*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
32020
Molecular simulation of electrode-solution interfaces
L Scalfi, M Salanne, B Rotenberg
Annual Review of Physical Chemistry 72, 2020
12020
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