Predicting thermodynamic stability of inorganic compounds using ensemble machine learning based on electron configuration

Abstract Machine learning offers a promising avenue for expediting the discovery of new compounds by accurately predicting their thermodynamic stability. This approach provides significant advantages in terms of time and resource efficiency compared to traditional experimental and modeling methods....

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Bibliographic Details
Main Authors: Hao Zou, Haochen Zhao, Mingming Lu, Jiong Wang, Zeyu Deng, Jianxin Wang
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-024-55525-y
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