Lectures related to Density Functional Theory: Basics and Improvements

DFT: Kohn-Sham Formulation

Covers the precursors of Kohn-Sham Density Functional Theory (DFT) and the Kohn-Sham formulation, explaining types of Exc[p] approximations and the performance of LDA.

Quantum Chemistry Fundamentals

Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.

First-Principles Molecular Dynamics: Uncertainty Quantification

Explores first-principles molecular dynamics in studying complex heterostructures and strategies to reduce computational cost.

Density Functional Theory: Common Problems and Solutions

Explores the limitations of density functional approximations and solutions for accurate charge-transfer excitations.

Density Functional Theory: Foundations and Applications

Explores Density Functional Theory, its foundations, practical applications, functionals, and challenges in kinetic energy expression.

Density Functional Theory: Fundamentals

Covers the fundamentals of Density Functional Theory, including its popularity, practical advantages, and applications in chemistry.

Q&A Session: Written Exam Details and Electronic Structure Methods

Covers written exam details and electronic structure methods for computational chemistry.

Density Functional Theory

Covers the Density Functional Theory, including the Hartree-Fock method and the Kohn-Sham scheme.

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Density Functional Theory and Tight-Binding Models

Explores modeling multilayer 2D materials, tight-binding models, and electrical conductivity in materials, emphasizing the importance of symmetries and reduced models.

DFT Kohn-Sham formalism and Exchange correlation functionals

Introduces the DFT Kohn-Sham formalism, exchange-correlation functionals, and their performance in approximating nonuniform systems.

Image Processing II: DFT, DCT, and Wavelet Transforms

Explores eigenfaces, DFT, DCT, and wavelet transforms in image processing.

Density Functional Theory: Troubleshooting, Pitfalls

Delves into troubleshooting errors and pitfalls in electronic structure methods, emphasizing the importance of integration grids and functional choices.

Density Functional Theory: Summary

Summarizes Generalized Gradient Approximations, Meta-GGAs, Hybrid functionals, First-Principles Molecular Dynamics, QM/MM simulations, and important features of Quantum Chemistry calculations.

Relationships between transforms

Explores the relationships between various transforms and signal embedding techniques.

Introduction to the z-Transform

Covers the z-Transform, LTI systems, and signal processing applications.

Frequency Response of LTI Systems

Explores LTI systems, impulse response, convolution, system properties, and frequency response, including low-pass and band-pass filters.

Spectrogram Analysis: Psychoacoustic Foundations & Signal Processing

Explores spectrogram analysis, including DFT, STFT, and CQT, for tasks like music transcription and onset detection.

Fourier and Laplace Transforms: Concepts and Applications

Provides an overview of Fourier and Laplace transforms, their properties, and applications in signal analysis.

Fourier Series and Equations

Covers Fourier series, periodic functions, and Fourier transforms.