Over the last forty years many computer simulations of water have been performed using
rigid non-polarizable models. Since these models describe water interactions in an …

The performance of several popular water models (TIP3P, TIP4P, TIP5P and TIP4P/2005) is
analyzed. For that purpose the predictions for ten different properties of water are …

The use and the properties of the virial expansion are reviewed and speculations given
concerning possible future developments. Firstly an account is given of the methodologies …

The scientific community has always been fascinated by the properties of water and,
consequently, a number of investigations continue to address this ubiquitous fluid …

The microscopic behavior of water under different conditions and in different environments
remains the subject of intense debate. A great number of the controversies arise due to the …

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 …

An ab initio nonadditive three-body potential for argon has been developed using quantum-
chemical calculations at the CCSD (T) and CCSDT levels of theory. Applying this potential …

Progress in obtaining an accurate atomistic model for water is reviewed and evaluated with
particular attention to thermodynamic properties such as the thermal pressure coefficient …

Much effort has been directed at develo** models for the computer simulation of liquid
water. The simplest models involve effective two-molecule interactions, parametrized from …

The virial equation of state (VEOS) provides a rigorous bridge between molecular
interactions and thermodynamic properties. The past decade has seen renewed interest in …