A. Carof

most citedNMR relaxation rates of quadrupolar aqueous ions from classical molecular dynamics using force-field specific Sternheimer factors

16 citations · 16 across the 1 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2021★ 16 cited

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

Iurii Chubak, Laura Scalfi, Antoine Carof +1

The nuclear magnetic resonance (NMR) relaxation of quadrupolar nuclei is governed by the electric field gradient (EFG) fluctuations at their position. In classical molecular dynami…

physics.comp-ph2016

Molecular hydrodynamics from memory kernels

Dominika Lesnicki, Rodolphe Vuilleumier, Antoine Carof +1

The memory kernel for a tagged particle in a fluid, computed from molecular dynamics simulations, decays algebraically as $t^{- 3/2}$ . We show how the hydrodynamic Basset-Boussinesq…