Dataset: The free energy landscape of Li- and Na-ion transport in nanoconfinement with machine learning interatomic potentials

Name: Dataset: The free energy landscape of Li- and Na-ion transport in nanoconfinement with machine learning interatomic potentials
Creator: Zenodo
Published: 2026-02-06T22:41:34+08:00

Zenodo2026-02-06 更新2026-05-26 收录

数据链接：

https://zenodo.org/doi/10.5281/zenodo.18511449 数据链接链接失效反馈

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资源简介：

This folder consists of Python codes and data files required to run and analyze umbrella sampling and unbiased MD simulations for Li and Na-ion transport in solvated zeolites. Note: The codes in this work have been run with the following specific Torch versions within the NFF conda environment:mace-torch 0.3.5torch 2.2.0torchmetrics 1.4.1torch-ema 0.3

提供机构：

Zenodo

创建时间：

2026-02-06