CrysMTM: a multiphase, temperature-resolved, multimodal dataset for crystalline materials

We present CrysMTM, a large-scale, multimodal dataset designed to benchmark temperature- and phase-sensitive machine learning models for crystalline materials. The dataset comprises approximately 30 000 atomistic samples covering the three primary polymorphs of titanium dioxide–anatase, brookite, an...

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Bibliographic Details
Main Authors: Can Polat, Erchin Serpedin, Mustafa Kurban, Hasan Kurban
Format: Article
Language:English
Published: IOP Publishing 2025-01-01
Series:Machine Learning: Science and Technology
Subjects:
Online Access:https://doi.org/10.1088/2632-2153/adf9bc
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