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"

Name: 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"
Creator: figshare
Published: 2023-04-03T23:20:10+08:00

DataCite Commons2023-04-04 更新2024-08-18 收录

机器学习

材料科学

数据链接：

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 数据链接链接失效反馈

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：

figshare

创建时间：

2023-04-03