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Showing 1 to 1 of 1 for “"classical density functional theory (cDFT)"”.
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A multiscale theory to determine thermodynamic properties of confined fluids
Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into a continuum framework such as the Nernst- Planck equation. EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. EQT potentials can be …