DFT book
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Book
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.. I sourced a list of department using chatgpt, it is quite extensive
This book provides a basic introduction to density functional theory and is intended for senior undergraduates and first-year graduate students interested in the ab initio computational modeling of materials. Published in 2014, it has since been adopted across Materials Science, Mechanical Engineering, Physics, Applied Physics, Chemistry, Chemical Engineering, and Electrical and Computer Engineering departments. The presentation begins with elementary notions of quantum mechanics and gradually builds the foundations of DFT calculations for materials, without relying on advanced mathematical or physical formalisms. It serves as an accessible first exposure to DFT and offers insight into what can (and cannot) be achieved using density functional theory. The book is currently the standard textbook for *PHY 392Q: Density Functional Theory* in the Department of Physics at the University of Texas at Austin.
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Hands-on tutorials
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While the book covers the theoretical foundations of materials modeling using DFT and illustrates current methods through practical examples, it does not provide hands-on tutorials for performing actual calculations with DFT software packages. To fill this gap, a set of hands-on tutorials based on `Quantum ESPRESSO `_ and used in PHY 392Q at UT Austin can be downloaded `here <../_static/downloads/tutorials.pdf>`_. These tutorials were prepared for the LS6 supercomputer, so the initial setup may require adjustment when using other computing clusters.
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