Sara Bonella
5PUBLICATIONS
11CO-AUTHORS
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Publications (5)
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|Sep 16, 2021
Anharmonic spectral features via trajectory-based quantum dynamics: A perturbative analysis of the interplay between dynamics and sampling.Thomas Plé, Simon Huppert, Fabio Finocchi
|Mar 09, 2021
Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems.A Coretti, L Scalfi, C Bacon
|Sep 23, 2019
Sampling the thermal Wigner density via a generalized Langevin dynamics.Thomas Plé, Simon Huppert, Fabio Finocchi
|Nov 24, 2018
Communication: Constrained molecular dynamics for polarizable models.Alessandro Coretti, Sara Bonella, Giovanni Ciccotti
|Apr 10, 2017
Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics.Marie Basire, Félix Mouhat, Guillaume Fraux
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Frequent Collaborators
2 joint publications
Giovanni Ciccotti
2 joint publications
Simon Huppert
1 joint publications
A Coretti
1 joint publications
L Scalfi
1 joint publications
C Bacon
1 joint publications
B Rotenberg
1 joint publications
R Vuilleumier
1 joint publications
M Salanne
1 joint publications
Félix Mouhat
1 joint publications
Guillaume Fraux
