Density Functional Theory
Examine the quantum theory of many-electron systems from the point of view of first-principles atomic-scale calculations. Develop the conceptual foundations of density functional theory and its uses in computational materials modeling, design, and discovery. Perform predictive calculations of structural, electronic, optical, vibrational, and magnetic properties of solids using high-performance computing environments. Three lecture hours a week for one semester.
Prerequisites & course information
Examine the quantum theory of many-electron systems from the point of view of first-principles atomic-scale calculations. Develop the conceptual foundations of density functional theory and its uses in computational materials modeling, design, and discovery. Perform predictive calculations of structural, electronic, optical, vibrational, and magnetic properties of solids using high-performance computing environments. Three lecture hours a week for one semester.
Sources
- Course catalogue ↗2026-2027