8 citations · 9 across the 4 of their papers we have counts for
4 papers
Diffusion under confinement: hydrodynamic finite-size effects in simulation
Pauline Simonnin, Benoit Noetinger, Carlos Nieto-Draghi +2
We investigate finite-size effects on diffusion in confined fluids using molecular dynamics simulations and hydrodynamic calculations. Specifically, we consider a Lennard-Jones flu…
Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and their mixture
Gabriela Guevara-Carrion, Carlos Nieto-Draghi, Jadran Vrabec +1
Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-a…
Histogram Reweighting Method for Dynamic Properties
Carlos Nieto-Draghi, Javier Perez-Pellitero, Josep Bonet Avalos
The histogram reweighting technique, widely used to analyze Monte Carlo data, is shown to be applicable to dynamic properties obtained from Molecular Dynamics simulations. The theo…
The role of the molecular association in the change of the sign of the Soret coefficient in aqueous mixtures
Bernard Rousseau, Carlos Nieto-Draghi, Josep Bonet Avalos
The change of sign with composition in aqueous mixtures of associating fluids is analysed by means of Molecular Dynamics simulations. The results obtained are in quantitative agree…