Mechanical and thermal properties of nanocomposites

Dear all,

I'm a graduate student working in the field of nano-compsoites, specifically CNTs embedded in polymer epoxy. I'm trying to compute the mechanical and thermal properties of such composites using MD simulation and compare it to the results I got using micromechanics techniques. Can anyone direct me to a tutorial or reference on how to conduct such simulations through Materials Studio? I have been searching the literature and read many papers but most of them do not put details and are very confusing? Thanks for the help!