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A-density
2
Acid-base equilibria
2
Atomic coordinate
Car-Parrinello molecular dynamics simulations
2
Car-Parrinello simulation
Computational costs
2
Constant of motion
2
Continuum mechanics
2
Continuum model
2
Continuum solvents
2
Density functional theory
2
Dielectric functions
2
Dielectric medium
2
Dynamics
2
Electronic density
2
Electronic structure
2
Electronic structure calculations
2
Experimental research
2
First-principles
2
Interfacial region
2
Kohn-Sham potential
2
Liquids
2
Molecular dynamics
2
Molecular dynamics simulations
2
Molecular mechanism
2
Multigrid methods
2
Periodic boundary conditions
2
Phase interfaces
2
Plane-wave basis set
2
Poisson equation
2
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2Materias: “...Computational costs...”
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