Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data
Date
2022-04
Description
Jupyter notebook file and simulation data and results
DFG subject classification
3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische ChemieRelated third party funded projects
DFG | TRR146 | B01 van der VegtRelated Resources
- Is supplement to: DOI:https://doi.org/10.1021/acs.jpclett.2c00121
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Except where otherwise noted, this item's license is described as Open Data Commons Attribution License (ODC-By) v1.0