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

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Zenodo2022-08-04 更新2026-04-07 收录
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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, <em>Ab initio</em> 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.

提供机构:
University of Zurich
创建时间:
2022-08-04
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