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2026-04-28 收录
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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
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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"
创建时间：
2023-04-04
