Data for the publication "Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties"

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Auteurs principaux: Grandel, Jonas, Benner, Philipp, George, Janine
Format: Recurso digital
Langue:anglais
Publié: Zenodo 2026
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author Grandel, Jonas
Benner, Philipp
George, Janine
author_facet Grandel, Jonas
Benner, Philipp
George, Janine
contents <p>This repository provides the Python scripts and the DFT and ML data used in the paper <em>"Parameter-Efficient Fine-Tuning of Machine Learning Interatomic Potentials for Phonon and Thermal Properties".<br><br></em>It enables the reproduction of the main results, including phonon band structures, thermal and elastic properties, and phase transition analysis.</p>
format Recurso digital
id zenodo_https___doi_org_10_5281_zenodo_19493836
institution Zenodo
language eng
publishDate 2026
publisher Zenodo
record_format zenodo
spellingShingle Data for the publication "Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties"
Grandel, Jonas
Benner, Philipp
George, Janine
<p>This repository provides the Python scripts and the DFT and ML data used in the paper <em>"Parameter-Efficient Fine-Tuning of Machine Learning Interatomic Potentials for Phonon and Thermal Properties".<br><br></em>It enables the reproduction of the main results, including phonon band structures, thermal and elastic properties, and phase transition analysis.</p>
title Data for the publication "Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties"
url https://doi.org/10.5281/zenodo.19493836