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ZENODO
Dataset . 2023
License: CC BY
Data sources: ZENODO
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Code and data for "Machine-learning-boosted ab-initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures"

Authors: Carrete Montaña, Jesús;

Code and data for "Machine-learning-boosted ab-initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures"

Abstract

Code and data for Machine-learning-boosted ab-initio study of the thermal conductivity of Janus PtSTe van der Waals heterostructures Contents: neuralil.tar.xz: version used in the manuscript of the force-field code described in the articles A Differentiable Neural-Network Force Field for Ionic Liquids and Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning. General-purpose releases can be found here. DFT_data.tar.xz: first-principles data created for training and validating the force field, stored as ASE databases in JSON format. model_params_plain_ensemble_DEEP_413E12A9.pkl: saved parameters of the fully trained force field. 0001-Use-equipartition-occupancies.patch: patch for Phono3py to use classical (equipartition) occupations instead of Bose-Einstein values.

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    popularity
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    influence
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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!
1
Average
Average
Average