Metadynamics enhanced training Datasets, DFT-SCAN accurate GAP Model and MD trajectories for "AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures"
收藏Figshare2023-04-04 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Metadynamics_enhanced_training_Datasets_DFT-SCAN_accurate_GAP_Model_and_MD_trajectories_for_AL4GAP_Active_Learning_Workflow_for_generating_DFT-SCAN_Accurate_Machine-Learning_Potentials_for_Combinatorial_Molten_Salt_Mixtures_/22534981/1
下载链接
链接失效反馈官方服务：
资源简介：
Metadynamics enhanced training Datasets, DFT-SCAN accurate GAP Model and MD trajectories for "AL4GAP: Active Learning Workflow for generating DFT-SCAN Accurate Machine-Learning Potentials for Combinatorial Molten Salt Mixtures" <br> <br>
提供机构：
Hoyt, Nathaniel; Andersson, David; Woo, Vanessa; Guo, Jicheng; Benmore, Chris; Foster, Ian; Sivaraman, Ganesh; Williamson, Mark; E. Jackson, Nicholas
创建时间：
2023-04-04
