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Sara Bonella

5PUBLICATIONS

11CO-AUTHORS

Integrable systems (classical and quantum)ElectrochemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Numerical solution of differential and integral equationsNonlinear optics and spectroscopy

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Publications (5)

Sort by Publication Date:

|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 CO<sub>2</sub>: 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

Frequent Collaborators

2 joint publications

Giovanni Ciccotti

2 joint publications

Simon Huppert

1 joint publications

A Coretti

1 joint publications

L Scalfi

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