Brief description
This data set contains the input files and output data used in a computational study of the existence of prenucleation clusters in a Ca^{2+} to CO_3^{2-} solution. The findings of this research are now published in Nature Communications. The simulations were performed with the molecular dynamics package LAMMPS using the iVEC facilities. The input files contain both the force field parameters and atomic coordinates necessary. These data can be used to benchmark calculations with different codes and compare results on analogous systems.
Data time period: 07 2010 to 31 07 2010
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