MB-pol
The MB-pol model of water [1].
References
- Related reading
- G.R. Medders, V. Babin, and F. Paesani, "A critical assessment of two-body and three-body interactions in water", Journal of Chemical Theory and Computation J. Chem. Theory Comput. 9 pp. 1103-1114 (2013)
- V. Babin, G.R. Medders, and F. Paesani, "Development of a “first principles" water potential with flexible monomers. II: Trimer potential energy surface, third virial coefficient, and small clusters", Journal of Chemical Theory and Computation 10 1599-1607 (2014)
- G.R. Medders, V. Babin, and F. Paesani, "Development of a “first principles" water potential with flexible monomers. III: Liquid phase properties", Journal of Chemical Theory and Computation 10 pp. 2906-2910 (2014)
- G.R. Medders, and F. Paesani, " Infrared and Raman spectroscopy of liquid water through “first principles" many-body molecular dynamics", Journal of Chemical Theory and Computation 11 pp. 1145-1154 (2015)