Deep Potential training data for subcritical and supercritical water
收藏Mendeley Data2024-01-31 更新2024-06-27 收录
下载链接：
http://arks.princeton.edu/ark:/88435/dsp01wh246w11p
下载链接
链接失效反馈官方服务：
资源简介：
Data set used to train a Deep Potential (DP) model for subcritical and supercritical water. Training data contain atomic forces, potential energy, atomic coordinates and cell tensor. Energy and forces were evaluated with the density functional SCAN. Atomic configurations were extracted from DP molecular dynamics at P = 250 bar and T = 553, 623, 663, 733 and 823 K. Input files used to train the DP model are also provided.
创建时间：
2024-01-31
