Related Experiment Video
Updated: Apr 24, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Combining off-lattice Monte Carlo and cellular automata for the simulation of hard-sphere systems
Federico G Pazzona1, Pierfranco Demontis1, Giuseppe B Suffritti1
1Dipartimento di Chimica e Farmacia, Università degli Studi di Sassari and Consorzio Interuniversitario Nazionale per la Scienza e Tecnologia dei Materiali (INSTM), Unità di Ricerca di Sassari, via Vienna, 2, I-07100 Sassari, Italy.
Abstract:
In the present work we show how the update rule of a diffusive cellular automaton with mutual exclusion can be exploited in off-lattice Monte Carlo simulations of hard spheres to obtain a synchronous Monte Carlo sampling that satisfies the detailed balance principle.
More Related Videos
06:37Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
07:31Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
Published on: September 1, 2023
Related Concept Videos
Structures of Solids
Lattice Centering and Coordination Number
Types of Unit Cells
Imagine taking a large number of identical...
Mechanistic Models: Overview of Compartment Models
Maxwell-Boltzmann Distribution: Problem Solving
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by
Virtual Work for a System of Connected Rigid Bodies
Next,...
Molecular Models