Snow in the environment acts as a host to rich chemistry and provides a matrix for physical
exchange of contaminants within the ecosystem. The goal of this review is to summarise the …

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 …

This chapter focuses on the recent developments in different polarizable force fields. These
include atomic multipole optimized energetics for biomolecular applications (AMOEBA), sum …

Conformational isomerism plays a central role in organic synthesis and biological
processes; however, effective control of isomerization processes still remains challenging …

The interaction between water and ions within droplets plays a key role in the chemical
reactivity of atmospheric and man-made aerosols. Here we report direct computational …

As theoretical approaches and technical methods improve over time, the field of computer
simulations for water has greatly progressed. Water potential models become much more …

We present a molecular dynamics simulation study in which we determined the melting point
of ice Ih for the polarizable SWM4-NDP water model (Lamoureux et al., Chem. Phys. Lett …

We develop a classical rigid polarizable model of water for molecular simulations of water
and ice. The model uses the Rowlinson five-site geometry: oxygen bearing the Lennard …

We present an Arrhenius analysis of self-diffusion on the prismatic surface of ice calculated
from molecular dynamics simulations. The six-site water model of Nada and van der Eerden …

Testing recent charge-on-spring type polarizable water models. I. Melting temperature and
ice properties | The Journal of Chemical Physics | AIP Publishing Skip to Main Content …