Machine Learning Potential for Modelling H2 Adsorption/Diffusion in MOFs with Open Metal Sites
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Data for reproducibility of the paper "Machine Learning Potential for Modelling H2 Adsorption/Diffusion in MOFs with Open Metal Sites" Corresponding paper: ShanPing Liu, Romain Dupuis, Dong Fan, Salma Benzaria, Mickaele Bonneau, Prashant Bhatt, Mohamed Eddaoudi, and Guillaume Maurin. "Machine Learning Potential for Modelling H2 Adsorption/Diffusion in MOFs with Open Metal Sites." Chemical Science (2024). https://doi.org/10.1039/D3SC05612K
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Zenodo创建时间：
2024-03-21
