Program : Sustainable Energy Materials (SEM)

Degree : MSc/MEng

Course Code : ACE 635

Course Name : Computational Materials Science Techniques and Applications

Course Category : Compulsory Core Courses

Semester : First Semester

Credit Hours : 2

Atomistic simulation, molecular dynamics method-algorithms Verlet and velocity Verlet, Getting numbers out of molecular dynamics simulations-radial distribution functions, diffusion constants, velocity autocorrelation functions, Constant pressure and constant temperature methods, Monte Carlo methods; the lsing model, Relevance of Computational Materials Sciences in energy materials and production.