There is a newer version of the record available.

Published August 4, 2022 | Version v1
Dataset Open

Ab initio molecular dynamics trajectories of water confined between graphene sheets

Authors/Creators

  • 1. University of Zurich

Description

Ab initio molecular dynamics trajectories of water confined between graphene 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.

Files

README.md

Files (28.2 GB)

Name Size
md5:a4513e3de9511fc69b21e79190802365
28.2 GB Download
md5:eb5a4a58709292cfac447d5191c4f6df
1.3 kB Preview Download

Additional details

Funding

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