Published March 31, 2026
| Version Version v1
Dataset
Open
Data for the publication "Parameter-Efficient Fine-Tuning of Machine-Learning Interatomic Potentials for Phonon and Thermal Properties"
Authors/Creators
- 1. Federal Institute For Materials Research and Testing
-
2.
Friedrich Schiller University Jena
Description
This repository provides the Python scripts and the DFT and ML data used in the paper "Parameter-Efficient Fine-Tuning of Machine Learning Interatomic Potentials for Phonon and Thermal Properties".
It enables the reproduction of the main results, including phonon band structures, thermal and elastic properties, and phase transition analysis.
Files
readme.txt
Files
(10.0 GB)
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md5:f69a444995095ca78bd33147b5397a01
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5.6 MB | Download |
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md5:1e66f91e5d7bf722d7fcbc0a6593cf40
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md5:ef0378f922a588eb9f501124d59ab132
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969.6 MB | Download |
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md5:dc811acd64aa51cdcd268d7961cac23d
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1.0 GB | Download |
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md5:d1b034c602e4a2f831ff53716da32eb6
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7.3 GB | Download |
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md5:b8dc04db068fc560ade5fa926af0925b
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699.0 MB | Download |
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md5:13701e2cfa73eda290bf06f3c90440f7
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4.1 kB | Preview Download |
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md5:c9aff32ae35872375782ce847ee6bf34
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20.4 MB | Download |