Simulation of inelastic neutron scattering spectra for water ice - A most effective way of testing water potentials.

The vibrational spectra measured by inelastic neutron scattering techniques can be simulated by either lattice dynamic or molecular dynamic methods. Simulating the measured vibrational spectra of ices provides a test of the accuracy of the various water potentials. Our work demonstrates that the advantages and the disadvantages of each of simulation techniques. Combining their advantages, we were able to simulate a range of effects from these potentials.