LAST ISSUE
MANUSCRIPT SUBMISSION
FUTURE ISSUES
ALL ISSUES
DATABASES
Blog Archives
Monte-Carlo Simulations of Two-Dimensional Polymer Solutions with Explicit Solvent Treatment
he static properties of two dimensional athermal polymer solutions with explicit solvent molecules were studied by Monte Carlo lattice simulations using the cooperative motion algorithm (CMA). The simulations were per ...
Distributed Processing of the Lattice in Monte Carlo Simulations of the Ising Type Spin Model
Parallelization of processing in Monte Carlo simulations of the Ising spin system with the lattice distributed in a stripe way is proposed. Message passing is applied and one-sided MPI communication with the MPI memory window is exploited. The 2D Ising spin lattice model is taken for testing purp ...
Parallel Simulations of the Monte Carlo Type: 3D Ashkin-Teller Model
The method of parallelization of processing in simulations of the Monte Carlo type is proposed and tested on the 3D Ashkin-Teller model characterized by a rich phase diagram. The message passing is applied and the MPI library is exploited. It is demonstrated that the method works well in differen ...
Special Purpose Parallel Computer for Modelling Supramolecular Systems based on the Dynamic Lattice Liquid Model
A predictive description of the synthetic processes leading to complex macromolecules requires consideration of the spatial models. Hierarchical, structural and dynamic complexities of such systems require new methodological developments. The presented work provides effective tools for the modell ...
Free Volume Approximation and Equation of State for the fcc Phase of Polydisperse Hard Spheres
Monte Carlo simulations of the fcc phase of polydisperse hard spheres near close packing are reported. An experimental equation of state (EoS) is determined numerically in the NpT ensemble with variable shape of the periodic box. The close packing volume extrapolated from the obtained data shows ...
New Virtual Porous Carbons Based on Carbon EDIP Potential and Monte Carlo Simulations
Using simple Metropolis Monte Carlo simulations, the series of virtual porous carbons (VPCs) is generated. During the computations, the carbon EDIP potential is employed. Structures in the series have systematically changing porosity due to the differences in the carbon density. The obtained VPCs ...