Molecular Simulation of Materials

ME 523 is about bridging scales: how the discrete behavior of atoms gives rise to the continuum stress and strain fields you already know from solid mechanics, and how to actually compute that crossover numerically. You'll spend the semester implementing molecular statics and finite element routines, working through three problem sets that build up to a project where you apply these tools to something concrete like surface energy, crystal defects, or plasticity. It's a graduate-level companion to classical continuum mechanics — useful if your research touches materials modeling, fracture, or anywhere the atomistic picture matters but you still need to talk to engineers in continuum language.