We developed transferable potentials for alkali and halide ions which are consistent with our
recent model of water [PT Kiss and A. Baranyai, J. Chem. Phys. 138, 204507 (2013)] …

In this work, extensive molecular dynamics simulations of mixtures of alcohols of several
chain lengths (methanol and ethanol) with the ionic liquids (ILs) composed of the cation 1 …

Publisher Summary The chapter presents experimental studies of the structure and
dynamics of molten alkali and alkaline earth halides. There are many different types of …

The structure of liquid gallium has been studied along the melting curve from 0.64 to 5.6
GPa by the energy dispersive x-ray diffraction technique, followed by modeling of the …

We present results for several structural and dynamical properties of the liquid Li 1− x Na x
alloy. The study has been carried out by means of the orbital-free ab initio molecular …

Several static and dynamic properties of the liquid Li-Pb alloy at diverse compositions, have
been calculated by means of ab initio molecular dynamics simulation study. This alloy has …

The static and dynamic properties of liquid Fe at high pressure and temperature have been
studied using an ab initio molecular dynamics method. We have focused on four …

We perform a comprehensive study of the static, dynamic, and electronic properties of liquid
Bi at T= 600 K, ρ= 0.02876 Å− 3 by means of 124-atom ab initio molecular dynamics …

The melting curve of sodium for a pressure range up to 100 GPa has been evaluated by the
orbital free ab initio molecular dynamics method. This method uses the electronic density as …

The static and dynamic structure of bulk liquid gallium is studied by using the orbital-free ab
initio molecular dynamics method. Three thermodynamic states along the coexistence line …