Atomic-scale Modeling: Interactive Exercises and Graded Assignments

This lecture introduces atomic-scale modeling to third-year BSc students in materials science, aiming to deepen their understanding through computational tools. Topics covered include crystallography, lattice planes, diffraction, and defects. Students engage in activities involving lattice vectors, basis coordinates, reciprocal lattices, diffraction peaks, and equilibrium vacancy concentrations. The lecture also explores dimensionality reduction techniques like principal component analysis and regression models for predicting material properties. The instructor integrates interactive demos, open-ended questions, and coding exercises, providing a comprehensive learning experience.