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KCW: Implementation of Koopmans Functionals Based on DFPT - Advanced Quantum ESPRESSO Tutorial 2022

Offered By: Materials Cloud via YouTube

Tags

Density Functional Theory Courses Hubbard Model Courses Computational Materials Science Courses Quantum ESPRESSO Courses

Course Description

Overview

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Explore an advanced Quantum ESPRESSO tutorial focusing on the implementation of Koopmans functionals based on Density Functional Perturbation Theory (DFPT). Delve into the intricacies of KCW (Koopmans-compliant Wannier functions) as presented by Nicola Colonna in this 47-minute video. Learn about the theoretical foundations and practical applications of Hubbard and Koopmans functionals from a linear response perspective. This tutorial is part of a broader series on advanced Quantum ESPRESSO techniques, providing valuable insights for researchers and practitioners in computational materials science and quantum chemistry.

Syllabus

QE tutorial 2022 - KCW: an implementation of Koopmans functionals based on DFPT - Nicola Colonna


Taught by

Materials Cloud

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