Work

Supplementary Material

Year: 2026

Type: supplementary-materials

Abstract: A supplementary PDF document containing further details of the ab initio calculations, RMSE values, and results of additional experiments with variations in the dataset, baseline energy E1, and ML model hyperparameters.

Source: AIP Publishing

DOI: 10.60893/figshare.jcp.31095790

Authors: Admin, AIP, Chong, Sanggyu, Jiang, Tong, Domina, Michelangelo, Bigi, Filippo, Grasselli, Federico, Lee, Joonho, Ceriotti, Michele

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7128768544

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Related to: 6