Datasets for the paper "Efficient Determination of Born-Effective Charges, LO-TO Splitting, and Raman Tensors of Solids with a Real-Space Atom-Centered Deep Learning Approach""
收藏DataCite Commons2025-11-20 更新2025-04-09 收录
下载链接：
https://borealisdata.ca/citation?persistentId=doi:10.5683/SP3/2HVROV
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资源简介：
This contains all the training and testing data used in the study for the paper:
"Efficient Determination of Born-Effective Charges, LO-TO Splitting, and Raman Tensors of Solids with a Real-Space Atom-Centered Deep Learning Approach"
All datasets are available in multiple formats (.h5, .db, .xyz) for training the different architectures referenced in the paper (RADNET, SchNet, SA-GPR).
提供机构：
Borealis
创建时间：
2024-05-31
