Molecular dynamics calculations of molten salts and soft-sphere binary liquid mixtures have
been performed. The self-and cross-correlations of the atomic velocities and displacements …

The Langevin dynamics simulation method has been used to study the structural and
dynamical properties of ions in electrolyte solutions. Time evolutions of Na+ and Cl− ions in …

A new algorithm for generalized Langevin-dynamics (GLD) simulations is presented. It is
third-order (inclusive) in positions and requires the realization of only one stochastic …

The suitability of the generalized Langevin equation (GLE) for a realistic description of the
behavior of a system of interacting particles in solution is discussed. This study is focused on …

The dynamic effects of the solvent on the ionic properties in electrolyte solutions are
investigated. Langevin dynamics simulations of 1 mol dm–3 NaCl aqueous solutions at 298 …

Time dependent probability distributions of the changes of direction of atomic velocities are
considered in order to examine in detail the shape of the trajectories obtained through …

Relative motions of particle pairs in a dense Lennard Jones liquid are investigated by
molecular dynamics (MD) calculations. The relative velocities are split into their components …

Fractal analysis of atomic motions Page 1 MOLECULAR PHYSICS, 1989, VOL. 68, No. 2,
423-426 Fractal analysis of atomic motions by JA PADRO Departament de Fisica Fonamental …

The relation between angular velocity and reorientational correlation functions gives the
base to study reorientational molecular motion in terms of the angular velocity stochastic …

A single step intrinsic memory model proposed by Talbot is applied to obtain angular
velocity sign correlation function. Exploiting the similarities between this function and the …