Robust three-body water simulation model
CJ Tainter, PA Pieniazek, YS Lin… - The Journal of chemical …, 2011 - pubs.aip.org
The most common potentials used in classical simulations of liquid water assume a pairwise
additive form. Although these models have been very successful in reproducing many
properties of liquid water at ambient conditions, none is able to describe accurately water
throughout its complicated phase diagram. The primary reason for this is the neglect of many-
body interactions. To this end, a simulation model with explicit three-body interactions was
introduced recently [R. Kumar and JL Skinner, J. Phys. Chem. B 112, 8311 (2008)
additive form. Although these models have been very successful in reproducing many
properties of liquid water at ambient conditions, none is able to describe accurately water
throughout its complicated phase diagram. The primary reason for this is the neglect of many-
body interactions. To this end, a simulation model with explicit three-body interactions was
introduced recently [R. Kumar and JL Skinner, J. Phys. Chem. B 112, 8311 (2008)
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