Research data supporting "Finite electric displacement simulations of polar ionic solid-electrolyte interfaces: Application to NaCl(111)/aqueous NaCl solution"
收藏DataCite Commons2024-12-17 更新2024-08-25 收录
下载链接：
https://www.repository.cam.ac.uk/handle/1810/287282
下载链接
链接失效反馈官方服务：
资源简介：
GROMACS files and CP2K files, both input and output, required to reproduce the figures of the publication to which these data belong. That is to say classical and ab initio MD trajectories of a polar NaCl (111) slab in contact with NaCl(aq) electrolyte under a plethora of applied field. See readme.txt for detailed breakdown. GROMACS files were run on a local machine, CP2K was run on Archer with 384 cores and/or Beskow with 256 cores, again all such .pbs input files are provided.
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2018-12-18
