Computer simulation study of the dynamic cross-correlations in liquids
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 …
been performed. The self-and cross-correlations of the atomic velocities and displacements …
Langevin dynamics simulation of ions in solution: Influence of the solvent structure
J Trullàs, A Giró, JA Padró - The Journal of chemical physics, 1989 - pubs.aip.org
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 …
dynamical properties of ions in electrolyte solutions. Time evolutions of Na+ and Cl− ions in …
A time-saving algorithm for generalized Langevin-dynamics simulations with arbitrary memory kernels
LG Nilsson, JA Padró - Molecular Physics, 1990 - Taylor & Francis
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 …
third-order (inclusive) in positions and requires the realization of only one stochastic …
On the description of atomic motions in dense fluids by the generalized Langevin equation: statistical properties of random forces
G Sesé, E Guàrdia, JA Padró - Journal of statistical physics, 1990 - Springer
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 …
behavior of a system of interacting particles in solution is discussed. This study is focused on …
Langevin dynamics simulations of electrolyte solutions. Influence of friction and random forces
JA Padró, J Trullàs, A Giró - Journal of the Chemical Society, Faraday …, 1990 - pubs.rsc.org
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 …
investigated. Langevin dynamics simulations of 1 mol dm–3 NaCl aqueous solutions at 298 …
On the atomic velocities in molecular and Langevin dynamics simulations of soft-sphere systems
M Canales, JA Padró - Molecular Simulation, 1988 - Taylor & Francis
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 …
considered in order to examine in detail the shape of the trajectories obtained through …
Computer simulation study of relative diffusion in simple liquids
M Canales, JA Padró - Journal of Physics: Condensed Matter, 1991 - iopscience.iop.org
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 …
molecular dynamics (MD) calculations. The relative velocities are split into their components …
Fractal analysis of atomic motions
JA Padró, M Canales - Molecular Physics, 1989 - Taylor & Francis
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 …
423-426 Fractal analysis of atomic motions by JA PADRO Departament de Fisica Fonamental …
Higher-order cumulants in the study of reorientational molecular motions
K Pasterny - Journal of molecular liquids, 1992 - Elsevier
The relation between angular velocity and reorientational correlation functions gives the
base to study reorientational molecular motion in terms of the angular velocity stochastic …
base to study reorientational molecular motion in terms of the angular velocity stochastic …
A statistical model with a single step intrinsic memory-an application to the analysis of dielectric relaxation
K Pasterny, R Wrzalik - Journal of molecular liquids, 1996 - Elsevier
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 …
velocity sign correlation function. Exploiting the similarities between this function and the …