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Supplementary files for High-Throughput Screening of Catalysts for Electroreduction of CO<sub>2</sub> to Methanol via Active Learning

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Figshare2025-05-10 更新2026-04-08 收录
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Supporting files for High-Throughput Screening of Catalysts for Electroreduction of CO<sub>2</sub> to Methanol via Active Learning. Include the original data for figures, a CSV format database for all adsorption energies and binding energies used in this work, and all CONTCARs to reproduce this work. The code for high-throughput DFT calculations and machine learning model training is available along with the supplementary files.

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2025-05-10
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