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Antoine Carof

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Libre accès
7
Documents
Affiliations actuelles
  • 525770
Identifiants chercheurs

Domaines de recherche

Chimie théorique et/ou physique

Publications

"benjamin-rotenberg"
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NMR relaxation rates of quadrupolar aqueous ions from classical molecular dynamics using force-field specific Sternheimer factors

Iurii Chubak , Laura Scalfi , Antoine Carof , Benjamin Rotenberg
Journal of Chemical Theory and Computation, 2021, 17 (10), pp.6006-6017. ⟨10.1021/acs.jctc.1c00690⟩
Article dans une revue hal-03366324v1
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Molecular Hydrodynamics from Memory Kernels

Dominika Lesnicki , Rodolphe Vuilleumier , Antoine Carof , Benjamin Rotenberg
Physical Review Letters, 2016, 116 (14), pp.147804. ⟨10.1103/PhysRevLett.116.147804⟩
Article dans une revue hal-01484777v1
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Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations

Antoine Carof , Mathieu Salanne , Thibault Charpentier , Benjamin Rotenberg
Journal of Chemical Physics, 2016, 145, pp.124508. ⟨10.1063/1.4963682⟩
Article dans une revue cea-01374228v1
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On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

Antoine Carof , Mathieu Salanne , Thibault Charpentier , Benjamin Rotenberg
Journal of Chemical Physics, 2015, 143, pp.194504. ⟨10.1063/1.4935496⟩
Article dans une revue cea-01230107v1
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Accurate Quadrupolar NMR Relaxation Rates of Aqueous Cations from Classical Molecular Dynamics

Antoine Carof , Mathieu Salanne , Thibault Charpentier , Benjamin Rotenberg
Journal of Physical Chemistry B, 2014, 118, pp.13252−13257. ⟨10.1021/jp5105054⟩
Article dans une revue hal-01157470v1
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Two algorithms to compute projected correlation functions in molecular simulations

Antoine Carof , Rodolphe Vuilleumier , Benjamin Rotenberg
Journal of Chemical Physics, 2014, 140, pp.124103. ⟨10.1063/1.4868653⟩
Article dans une revue hal-01078959v1
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Coarse graining the dynamics of nano-confined solutes: the case of ions in clays

Antoine Carof , Virginie Marry , Mathieu Salanne , Jean-Pierre Hansen , Pierre Turq
Molecular Simulation, 2013, 00, pp.1 - 12. ⟨10.1080/08927022.2013.840894⟩
Article dans une revue hal-01484321v1