Basic Information
Commonly Practiced Computational Methods in Quantum Chemistry On Classical Computers. Wave Function Based (hartre Fock, Ci, Coupled Clusters) and Density Functional Based (dft Tddft) Approaches And Their Application in Energy and Geometry Calculations of Stable Molecular Confirmations, Transition States and Reaction Coordinates, And Ir and Nmr Spectra. Quantum Simulators and Applications Of Quantum Computers to Quantum Chemistry. Learning Outcomes# at The End of The Course The Student Will Be Acquainted With Different Approaches to Quantum Chemical Calculations, Will Know to Select The Appropriate Method For A Given Problem, and Will Know to Apply It to Using Commonly Available Computer Codes. The Student Will Be Acquainted With Applications of Quantum Computers to The Solution of Quantum Chemical Problems.
Faculty: Chemistry
|Graduate Studies
Pre-required courses
116031 - Quantum Information Theory or 236990 - Introduction to Quantum Information Processing