First-Principles Calculation of Hubbard Parameters Using Linear-Response Theory - Tutorial 2022
Learn advanced techniques for calculating Hubbard parameters using linear-response theory in DFT+U(+V) approach. Explore applications in materials science, including battery voltages and vacancy formation energies.
Introduction to Density-Functional Theory - QE School 2023 Lecture 1.2
Explore density-functional theory fundamentals, focusing on Hubbard and Koopmans functionals from linear response in advanced quantum calculations.
First-Principles Calculation of Hubbard Parameters Using Linear-Response Theory - QE School 2023
Explore first-principles calculation of Hubbard parameters using linear-response theory in advanced Quantum ESPRESSO applications for materials science.
DFT+U and DFT+U+V: Basic Concepts and Applications - Lecture 3.1
Explore Hubbard and Koopmans functionals in Density Functional Theory, focusing on applications in battery materials and addressing limitations of standard DFT methods.
Phonons and Electron-Phonon Coupling Using DFPT+U - QE School 2023 Lecture 3.5
Explore phonons and electron-phonon coupling using DFPT+U in Quantum ESPRESSO, focusing on Hubbard and Koopmans functionals from linear response.
Dynamical Extension of DFT+U: U(ω) - Advanced Quantum ESPRESSO School 2023 - Lecture 3.3
Explore dynamical extensions of DFT+U, focusing on Hubbard and Koopmans functionals from linear response. Learn about spectral properties, Green's functions, and dynamical self-energies.
Koopmans Compliance: Towards a Functional Theory of the Spectral Density - Lecture 4.2
Explore Koopmans compliance and its role in developing a functional theory of spectral density, advancing understanding of Hubbard and Koopmans functionals in quantum systems.
Koopmans Functionals in Practice: Minimisation and Screening Coefficients - Lecture 4.3
Explore Koopmans functionals in quantum calculations: minimization techniques, screening coefficients, and practical applications for advanced materials modeling.
Koopmans Functionals: Basic Concepts - QE School 2023 - Lecture 4.1
Explore Koopmans functionals in quantum mechanics, covering fundamental principles and applications in advanced Quantum ESPRESSO calculations.
Koopmans Spectral Functionals: Implementation in Periodic Boundary Conditions - QE School 2023
Explore Koopmans spectral functionals implementation in periodic boundary conditions for advanced Quantum ESPRESSO applications.
Electronic-Structure Methods for Materials Science - Advanced Quantum ESPRESSO Tutorial
Explore advanced electronic-structure methods for materials science, focusing on Hubbard and Koopmans functionals from linear response in Quantum ESPRESSO.
Electronic and Optical Spectra from Optimally-Tuned Functionals - QE Tutorial 2022
Explore optimally-tuned functionals for accurate electronic and optical spectra calculations in advanced quantum systems.
Exchange-Correlation Functionals of Density Functional Theory - QE School 2023 Lecture 1.3
Explore advanced exchange-correlation functionals in DFT, focusing on Hubbard and Koopmans functionals from linear response for enhanced quantum calculations.
Maximally Localized Wannier Functions: Theory and Recent Developments - Lecture 1.4
Explore maximally localized Wannier functions, their theoretical foundations, and latest advancements in quantum materials research.
Beyond Harmonic Phonons: Phase Diagrams and Phase Transitions - QE School 2023 Lecture 2.3
Explore advanced quantum mechanics concepts, focusing on phase diagrams and transitions beyond harmonic phonons in materials science.
Density-Functional Perturbation Theory: Phonons - Lecture 2.1
Explore density-functional perturbation theory and its application to phonon calculations in advanced quantum systems.
Successes and Failures of DFT+U in Ferroic Materials - Lecture 3.4
Explore successes and failures of DFT+U in ferroic materials, focusing on Hubbard and Koopmans functionals from linear response in advanced quantum calculations.
Ab Initio Many-Body Perturbation Theory - QE School 2023 Lecture 4.5
Explore advanced quantum mechanics with a focus on Hubbard and Koopmans functionals, delving into linear response theory and many-body perturbation techniques.
AiiDA-Vibroscopy: All-Functional Infrared and Raman Spectra - Lecture 5.2
Explore AiiDA-Vibroscopy for calculating infrared and Raman spectra using various functionals in Quantum ESPRESSO, enhancing materials research capabilities.
Computational Workflows for an Accelerated Design of Novel Materials - QE School 2023 Lecture 5.3
Explore computational workflows for accelerated design of novel materials, focusing on Hubbard and Koopmans functionals from linear response in advanced quantum calculations.