Lennard-Jones binary fluids: A comparative study between the molecular dynamics and Monte Carlo descriptions of their structural properties

► Monte Carlo and Molecular Dynamics are applied to study Lennard-Jones binary fluid. ► We study the structural properties description with both techniques. ► A phase separation of the atomic species was observed. ► Both techniques provides equivalent descriptions of the structural properties. ► We found when the use of one technique is more suitable than the other one.