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Learn about vibrational and magnetic spectroscopies in Quantum ESPRESSO through this comprehensive lecture focusing on Nuclear Magnetic Resonance (NMR) and Electron Paramagnetic Resonance (EPR) techniques. Explore the theoretical foundations and practical applications of these spectroscopic methods within the Quantum ESPRESSO computational framework. Discover how to calculate NMR chemical shifts and EPR parameters using density functional theory calculations. Master the implementation of magnetic response properties and understand the computational approaches for predicting spectroscopic observables in materials science. Gain insights into the relationship between electronic structure and magnetic properties of materials through hands-on examples and theoretical discussions. Understand the computational challenges and solutions for accurate prediction of NMR and EPR parameters in various material systems.
