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Chemical potentials from structure factors: II. Charged multi-component mixtures

Wang, Xiaoyu et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicssoft-condensed-matterstatistical-mechanics
The chemical potentials of charged multi-component mixtures are central to electrolyte thermodynamics, but remain difficult to compute from atomistic simulations. The S0 method enables computing chemical potentials of mixtures from equilibrium molecular dynamics simulations. Here we extend the S0 me
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