A new reactive potential for the molecular dynamics simulation of liquid water

The 'recursive fitting' is applied to obtain a new parameterization of the central force field for water. As target experimental data to be reproduce, the experimental radial distribution functions determined by neutron scattering are used. It is shown that the obtained force field reproduces correctly the geometry of water molecules, its the coordination shell, coefficient of self diffusion and density. The ability of this force field to allow a proton transfer on classical level are shown on case of hydrated Nafion membrane.