Suchergebnisse - "Bonella, Sara"

PubPharm (39)

1

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

enthalten in: The Journal of chemical physics | 2023

von Girardier, D. | Vroylandt, H. | Bonella, S. | +1

2

MetalWalls : Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

enthalten in: The Journal of chemical physics | 2022

von Coretti, A. | Bacon, C. | Berthin, R. | +9

3

MetalWalls: Simulating electrochemical interfaces between polarizable electrolytes and metallic electrodes

enthalten in: chemRxiv.org | 2022

von Coretti, A. | Bacon, C. | Berthin, R. | +9

4

MetalWalls: A Classical Molecular Dynamics Software Dedicated to the Simulation of Electrochemical Systems

enthalten in: chemRxiv.org | 2021

von Marin-Laflèche, A. | Haefele, M. | Scalfi, L. | +11

5

Anharmonic spectral features via trajectory-based quantum dynamics : A perturbative analysis of the interplay between dynamics and sampling

enthalten in: The Journal of chemical physics | 2021

von Plé, T. | Huppert, S. | Finocchi, F. | +2

6

Nuclear Quantum Effects in Liquid Water at Near Classical Computational Cost Using the Adaptive Quantum Thermal Bath

enthalten in: The journal of physical chemistry letters | 2021

von Mauger, N. | Plé, T. | Lagardère, L. | +4

7

Erratum : Fluctuation relations for systems in a constant magnetic field [Phys. Rev. E 102, 030101(R) (2020)

enthalten in: Physical review. E | 2021

von Coretti, A. | Rondoni, L. | Bonella, S.

ErratumFor: Phys Rev E. 2020 Sep;102(3-1):030101. - PMID 33075979

8

Fluctuation Relations for Dissipative Systems in Constant External Magnetic Field : Theory and Molecular Dynamics Simulations

enthalten in: Entropy (Basel, Switzerland) | 2021

von Coretti, A. | Rondoni, L. | Bonella, S.

9

Fluctuation relations for systems in a constant magnetic field

enthalten in: Physical review. E | 2020

von Coretti, A. | Rondoni, L. | Bonella, S.

ErratumIn: Phys Rev E. 2021 Feb;103(2-2):029902. - PMID 33736120

10

Adiabatic motion and statistical mechanics via mass-zero constrained dynamics

enthalten in: Physical chemistry chemical physics : PCCP | 2020

von Bonella, S. | Coretti, A. | Vuilleumier, R. | +1