Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data
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2022-06-12
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Jupyter notebook file and simulation data and results
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https://doi.org/10.1021/acs.jpclett.2c00121Project(s)
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Except where otherwise noted, this license is described as Open Data Commons Attribution License (ODC-By) v1.0