Data from "Tuning Water Dissociation at Oxide-Electrolyte Interfaces with Electric Fields"
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下载链接：
https://zenodo.org/record/15033694
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资源简介：
Related Paper
"Tuning Water Dissociation at Oxide-Electrolyte Interfaces with Electric Fields", Chunyi Zhang, Zheng Yu, Roberto Car, and Annabella Selloni
Data
1_DPLR_DW_models: This folder contains the DPLR and DW models, along with the input script used to train these models.
2_training_dataset: This folder includes the DFT-based training dataset used for model training.
3_code: This folder contains the modified DPLR code to implement the fixed D field. It is intended to be used within the DeePMD-kit package.
创建时间：
2025-03-16
