Ab initio molecular dynamics trajectories of liquid water at the interface with MoS2 sheets

Ab initio molecular dynamics trajectories of water confined between MoS2 sheets for different confinement widths and system sizes.

This repository contains data supporting the findings of the paper: 

G. Tocci, M. Bilichenko, L. Joly, M. Iannuzzi, Ab initio nanofluidics: disentangling the role of the energy landscape and of density correlations on liquid/solid friction, Nanoscale, 12, 10994-11000 (2020). DOI: 10.1039/D0NR02511A.