Applied Quantum Chemistry

This is a hands-on graduate course in computational quantum chemistry: you learn how the standard machinery (Hartree-Fock, post-HF correlation methods, DFT, and beyond into multireference, QM/MM, and excited-state approaches) is actually deployed to predict real molecular structure, energetics, and properties. Most of the work happens through five projects run in ORCA, WEBMO, and Gabedit, where you pick functionals and basis sets, optimize geometries on potential energy surfaces, and defend your choices, framed by a midterm and final. It assumes you already have undergraduate quantum mechanics in hand and sits as the bridge between formal quantum theory and the calculations that drive modern research in catalysis, materials, and spectroscopy.