Continuum mechanics Liquids Molecular dynamics Molecular dynamics simulations Solvents A-density Acid-base equilibria Atomic coordinate Capillary condensation Car-Parrinello molecular dynamics simulations Car-Parrinello simulation Computational costs Condensation Confined fluids Constant of motion Continuum model Continuum solvent Continuum solvents Density functional theory Dielectric functions Dielectric medium Dielectric properties Dielectric saturation Dynamics Electronic density Electronic structure Electronic structure calculations Experimental research Filling First-principles