water_ice_JCP_2020
收藏DataCite Commons2024-03-28 更新2024-07-13 收录
下载链接：
https://materials.colabfit.org/id/DS_p2aaxa2vfnr6_0
下载链接
链接失效反馈官方服务：
资源简介：
Starting from a single reference ab initio simulation, we use active learning to expand into new state points and to describe the quantum nature of the nuclei. The final model, trained on 814 reference calculations, yields excellent results under a range of conditions, from liquid water at ambient and elevated temperatures and pressures to different phases of ice, and the air-water interface — all including nuclear quantum effects.
提供机构：
ColabFit
创建时间：
2024-03-28
