colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_train
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/CGM-MLP_natcomm2023_screening_carbon-cluster_Cu_train
下载链接
链接失效反馈官方服务：
资源简介：
CGM-MLP natcomm2023筛选碳簇Cu训练数据集，包含从Cu(111)板AIMD模拟中选取的588个结构，包括Cu(111)板上的C1-C18簇。该数据集用于测试筛选参数，并用于生产探索可控合成碳纳米材料的Cu-C相互作用的活性学习数据集。数据集结合了Carbon_GAP_20数据集中的结构和在Cu(111)表面上的额外碳簇配置。
The CGM-MLP natcomm2023 screening carbon-cluster Cu train dataset contains 588 structures selected from the AIMD simulation of the Cu(111) slab, including the C1-C18 clusters on the Cu(111) slab. This dataset was used for testing screening parameters during the process of producing an active learning dataset for exploring Cu-C interactions in the context of controllable synthesis of carbon nanomaterials. It combines structures from the Carbon_GAP_20 dataset with additional configurations of carbon clusters on a Cu(111) surface.
提供机构：
colabfit
