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Learn vibrational and magnetic spectroscopy techniques using Quantum ESPRESSO (QE) software in this comprehensive lecture delivered by Dr. Lorenzo Paulatto at ICTP in 2017. Explore the theoretical foundations and practical applications of infrared (IR) and Raman spectroscopy calculations within the QE framework. Master the computational methods for predicting vibrational properties of materials, including phonon calculations, intensity calculations for IR and Raman spectra, and the underlying quantum mechanical principles that govern these spectroscopic techniques. Gain hands-on experience with QE tools for analyzing vibrational modes, understanding selection rules, and interpreting spectroscopic data for materials characterization. Discover how density functional theory (DFT) calculations can be used to predict and analyze experimental spectroscopic results, making this essential knowledge for researchers working in computational materials science, solid-state physics, and quantum chemistry.
