The data associated with the paper "Layer-by-layer phase transformation in Ti3O5 revealed by machine learning molecular dynamics simulations"
收藏Figshare2024-04-10 更新2026-04-08 收录
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https://springernature.figshare.com/articles/dataset/The_data_associated_with_the_paper_Layer-by-layer_phase_transformation_in_Ti3O5_revealed_by_machine_learning_molecular_dynamics_simulations_/24279616
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资源简介：
The data includes the crystal structures and phonon dispersions of all predicted stable and metastable phases,
training and validation datasets, and the developed machine learning potential.
提供机构：
Sun, Yan; Niu, Haiyang; Wang, Jiantao; Liu, Mingfeng; Yan, Xuexi; Yang, Bo; Zuo, Liang; Chen, Xing-Qiu; Chen, Chunlin; Hu, Junwei; Kresse, Georg; Li, Jiangxu; Yan, Haile; Liu, Peitao
创建时间：
2024-04-10
