colabfit/CGM-MLP_natcomm2023_screening_deposited-carbon_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_deposited-carbon_Cu_train
下载链接
链接失效反馈官方服务：
资源简介：
CGM-MLP natcomm2023筛选沉积碳Cu训练数据集包含了在CGM-MLP训练过程中从MD/tfMC模拟中均匀选取的1090个结构。该数据集用于测试筛选参数，并在生成用于探索基底催化的碳纳米材料可控合成方法的Cu-C相互作用活性学习数据集的过程中使用。数据集结合了Carbon_GAP_20数据集中的结构和在Cu(111)表面上的额外碳团簇配置。
The CGM-MLP natcomm2023 screening deposited-carbon Cu train dataset consists of 1090 structures uniformly selected from the MD/tfMC simulation during the training process of CGM-MLPs. This dataset was used for testing screening parameters during the process of producing an active learning dataset for Cu-C interactions, aiming to explore the controllable synthesis of carbon nanomaterials via substrate-catalyzed deposition. The combined dataset includes structures from the Carbon_GAP_20 dataset and additional configurations of carbon clusters on a Cu(111) surface.
提供机构：
colabfit
