Molecular Quantum Mechanics 3: Electronic Structure
CAS CH 653
Undergraduate Prerequisites: (GRSCH652) or equivalent. - Introduction to electronic structure theory and modern quantum chemistry software. Focus on theoretical foundations, capabilities, and limitations of wave-function- based and density functional theory methods. Relevant software tutorials and computational homework assignments. Skills to design and independently perform quantum chemical simulations.
FALL 2026 Schedule
| Section | Instructor | Location | Schedule | Notes |
|---|---|---|---|---|
| A1 | Bravaya | SCI 294 | MW 12:20 pm-1:35 pm | This course covers the fundamentals of molecular quantum mechanics and modern electronic structure methods for characterizing molecular structure, properties, and spectroscopy. The theoretical curriculum is complemented by hands-on simulations using the PySCF and Q-Chem quantum chemistry packages. |
Note that this information may change at any time. Please visit the MyBU Student Portal for the most up-to-date course information.
