| dc.description.abstract | Molecular Dynamics Simulation (MDS) models properties of a system of interacting
particles by repeteadly calculating the interactions between the particles and
integrating their equations of motion. Combining statistical mechanics and kinetic
theory, microscopic properties of the system can be calculated. There are three main
scenarios for the use of MDS. The first scenario, the simulated properties are
compared with experimental result, and when the two agree, it is reasonable to claim
that the experimental result can be explained by the simulation model. The second,
MDS are used to interprate experimental result. The third giving exploratory tool to
gain an initial understanding of a molecular motion and interaction problem, also give
guidance among possible lines of investigation, be it theoretical or experimental. This
simulations using the language of technical computing Matlab version 6.1
With visualizing the histogram and graph form the interaction of molecular
dynamics shows that this simulation gain the specification of error needed.
Exploratory simulation can be done in further research | en_US |
