The Surface Potential of the Water–Vapor Interface from Classical Simulations
The Surface Potential of the Water–Vapor Interface from Classical Simulations is a scholarly work, published in 2015 in ''Journal of Physical Chemistry B''. The main subjects of the publication include computational chemistry, materials science, quantum biology, chemical physics, Surface charge#Gouy-Chapman, dipole, charge, plane, potential energy surface, distortion, potential energy, quadrupole, molecule, chemistry, water model, molecular dynamics simulation, point particle, electrocatalyst, surface, and charge density. However, the large discrepancies between surface potentials calculated from ab initio (AI) and classical molecular dynamics (MD) simulations indicate that what is being calculated may be relevant to different test probes.