Published August 4, 2022 | Version v1
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Ab initio molecular dynamics trajectories of liquid water at the interface with hBN sheets

Authors/Creators

  • 1. University of Zurich

Description

Ab initio molecular dynamics trajectories of water confined between hBN 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.

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Additional details

Funding

Swiss National Science Foundation
Ab Initio Nanofluidics: Electronic Structure and Transport Properties for Osmotic Energy Conversion PZ00P2_179964