Nonadditive Monte Carlo Simulation of Liquid Hydrogen Chloride Difference Algorithm and Parallel Implementation
- 1 May 1991
- journal article
- research article
- Published by Taylor & Francis in Molecular Simulation
- Vol. 7 (1) , 71-88
- https://doi.org/10.1080/08927029108022449
Abstract
This paper continues our Monte Carlo simulation study of liquid hydrogen chloride [1]. The importance of non-additive interactions is carefully analyzed. Computed atom pair correlation functions are compared to neutron scattering experiments [2]. A difference algorithm (“Δ—algorithm”) is developed, which makes non-additive Monte Carlo simulations practicable. We also report an implementation of this algorithm on a transputer network, taking advantage of the inherent parallelism of the Δ — algorithm.Keywords
This publication has 13 references indexed in Scilit:
- The effect of density variation on the structure of liquid hydrogen chloride. A Monte Carlo studyThe Journal of Chemical Physics, 1990
- A computer simulation for model fluid hydrogen chlorideMolecular Physics, 1985
- Theory of Molecular FluidsPublished by Oxford University Press (OUP) ,1984
- The structure of hydrogen chlorideMolecular Physics, 1984
- A molecular dynamics simulation of rotational and vibrational relaxation in liquid HClThe Journal of Chemical Physics, 1983
- The HCl–HCl interaction: From quantum mechanical calculations to properties of the liquidThe Journal of Chemical Physics, 1983
- A molecular dynamics simulation of fluid hydrogen chlorideMolecular Physics, 1980
- Structure and dynamics of associated molecular systems. III. Computer simulation of liquid hydrogen chlorideThe Journal of Chemical Physics, 1980
- A computer simulation for a simple model of liquid hydrogen chloride-time correlation functionsMolecular Physics, 1980
- A computer simulation for a simple model of liquid hydrogen chlorideMolecular Physics, 1979