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"
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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
