Data and models supporting "Non-Markovian heat production in ultrafast phonon dynamics"
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This record contains a neuroevolution potential model (nep.txt), which can be run using, e.g., the GPUMD or calorine packages. It has been trained using reference data from density functional theory calculations, which are included here in the form of an ASE sqlite database (reference-structures-CX.db). Further details can be found in the associated publication.
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Zenodo创建时间：
2026-03-02
