160 citations · 1.1k across the 30 of their papers we have counts for
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physics.comp-ph2016★ 98 cited
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 . We show how the hydrodynamic Basset-Boussinesq…
physics.chem-ph2016★ 66 cited
On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation
Arne Scherrer, Federica Agostini, Daniel Sebastiani +2
Describing the dynamics of nuclei in molecules requires a potential energy surface, which is traditionally provided by the Born-Oppenheimer or adiabatic approximation. However, we…