ABEEMPolarizable Force Field

In the polarizable force fields, the potential energy function contains the polarization terms. The atom–bond electronegativity equalization method (ABEEM) partitions the total charge of a molecule into the condensed partial charges that not only locate on the atomic sites but also locate on the σ-bonds, π-bonds, and lone-pair sites. This method is used to build up the potential energy function of the ABEEM polarizable force field (PFF). This ABEEM PFF shows fair performance in molecular dynamic simulations for chemical and biological systems as well as in their aqueous solutions and is developing with great interest.