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Antoine Carof

Showing results (1-10 of 21) with videos related to

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The Journal of Chemical Physics|April 5, 2014
Two algorithms to compute projected correlation functions in molecular dynamics simulationsAntoine Carof, Rodolphe Vuilleumier, Benjamin Rotenberg
Physical Review Letters|January 29, 2025
Stochastic Density Functional Theory for Ions in a Polar SolventPierre Illien, Antoine Carof, Benjamin Rotenberg
The Journal of Chemical Physics|December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hoppingAntoine Carof, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry Letters|May 23, 2018
Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics SimulationSamuele Giannini, Antoine Carof, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|December 4, 2019
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigmAntoine Carof, Samuele Giannini, Jochen Blumberger
Physical Review. E|October 21, 2025
Non-Gaussian density fluctuations in the Dean-Kawasaki equationLouison Le Bon, Antoine Carof, Pierre Illien
Journal of Computational Chemistry|June 10, 2023
Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulationsVishal Kumar Porwal, Antoine Carof, Francesca Ingrosso
The Journal of Chemical Physics|November 23, 2015
On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in waterAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Physical Chemistry. B|October 24, 2014
Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamicsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Chemical Physics|October 27, 2016
Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cationsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
Pageof 3

Showing results (1-10 of 21) with videos related to

Sort By:
Pageof 3
The Journal of Chemical Physics|April 5, 2014
Two algorithms to compute projected correlation functions in molecular dynamics simulationsAntoine Carof, Rodolphe Vuilleumier, Benjamin Rotenberg
Physical Review Letters|January 29, 2025
Stochastic Density Functional Theory for Ions in a Polar SolventPierre Illien, Antoine Carof, Benjamin Rotenberg
The Journal of Chemical Physics|December 10, 2017
Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hoppingAntoine Carof, Samuele Giannini, Jochen Blumberger
The Journal of Physical Chemistry Letters|May 23, 2018
Crossover from Hopping to Band-Like Charge Transport in an Organic Semiconductor Model: Atomistic Nonadiabatic Molecular Dynamics SimulationSamuele Giannini, Antoine Carof, Jochen Blumberger
Physical Chemistry Chemical Physics : PCCP|December 4, 2019
How to calculate charge mobility in molecular materials from surface hopping non-adiabatic molecular dynamics - beyond the hopping/band paradigmAntoine Carof, Samuele Giannini, Jochen Blumberger
Physical Review. E|October 21, 2025
Non-Gaussian density fluctuations in the Dean-Kawasaki equationLouison Le Bon, Antoine Carof, Pierre Illien
Journal of Computational Chemistry|June 10, 2023
Hydration effects on the vibrational properties of carboxylates: From continuum models to QM/MM simulationsVishal Kumar Porwal, Antoine Carof, Francesca Ingrosso
The Journal of Chemical Physics|November 23, 2015
On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in waterAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Physical Chemistry. B|October 24, 2014
Accurate quadrupolar NMR relaxation rates of aqueous cations from classical molecular dynamicsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
The Journal of Chemical Physics|October 27, 2016
Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cationsAntoine Carof, Mathieu Salanne, Thibault Charpentier, et al.
Pageof 3