SALT2017 dataset

The SALT2017 dataset contains ab initio molecular dynamics simulations of the effects of dissolved NaCl on the structure of water. Simulations of Na+, Cl- and dissolved NaCl are performed in the NVT ensemble at a temperature of 400K, using the PBE exchange-correlation functional. Details are available in the paper:
A. Gaiduk and G. Galli, Local and Global Effects of Dissolved Sodium Chloride on the Structure of Water http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b00239 to appear in J. Phys. Chem. Lett. (2017)
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simulation data
MD output files of simulations