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Dataset . 2025
License: CC BY
Data sources: ZENODO
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ZENODO
Dataset . 2024
License: CC BY
Data sources: ZENODO
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Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2025
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2024
License: CC BY
Data sources: Datacite
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Dataset: The free energy landscape of Li- and Na-ion transport in nanoconfinement with machine learning interatomic potentials

Research datakeyboard_double_arrow_right Dataset 08 Oct 2024Publisher:Zenodo
Authors: Majumdar, Sauradeep; Roy, Swagata; Jun, KyuJung; Steiner, Miguel; Gomez-Bombarelli, Rafael;

doi: 10.5281/zenodo.18511449 , 10.5281/zenodo.17299204 , 10.5281/zenodo.17065643 , 10.5281/zenodo.17289701

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

Abstract

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

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average