Design and Conduct of Computational Material Science Experiment

Computational materials science experiment (CMSE) is a significant subject in undergraduate experiment teaching system.During the multidisciplinary and complexity of fundamental knowledge and the wide range of simulation covered,CMSE is difficult to carry out the experimental teaching of the computational material science.In this paper,computation and simulation of titanium nitride was selected as an example to expound how to select the experiment contents,conduct experiment teaching and analysze the experiment results.Some useful experiences for reference were provided to develop such similar experiments.