Course Description

Course CodeCourse NameCreditsHours
5607003 Molecular Dynamics Simulation 3.0 3
Description 1. Establishment of the Molecular Dynamic models 2.Conservative systems and periodic boundary conditions 3.Hard sphere model 4.Algorithms for Molecular Dynamics 5.Soft sphere model 6.Static Properties 7.Internal Energy, Pressure Mean Square for 4, specific heat, Entropy 8.Redial distribution Function 9.Dynamics Properties 10.Time Correlation Function 11.Einstein Relation 12.Green-Kubo Relation 13.Diffusiaity 14.Viscosity 15.Dynamic Structure(Space-Time Correlation)