Materials Modeling using First Principle Calculations

Introduction to Density Functional Theory [Part One] Background

QE school 2023 - 3.2 First-principles calculation of Hubbard parameters using linear-response theory

Basics of DFT in 10 minutes

201 - First Principles Calculations for Electronic Properties of CsGeCI(1-X)Ix perovskites

Density Functional Theory | Explained in Much Easy way

Beyond first-principles methods for lattice dynamics by Ghanshyam Khanal @ANPA Colloquium (9/7/2020)

Evaluating first principles DFT+U+J algorithms for modelling transition metal oxides

C Dreyer First principles calculations of flexoelectricity in bulk boron nitride

IAIFI Colloquium: Ab-initio AI for first-principles calculations of the structure of matter

QE tutorial 2022 - First-principles calculation of Hubbard parameters - Iurii Timrov

Isao Tanaka | Introduction of First Principles Calculations

Tutorial 3a: Materials Simulation by First-Principles Density Functional Theory I

Reliable first principles calculations for iron: APMS conference

First principles calculations of polarons in real materials | Carla Verdi | University of Vienna

QE tutorial 2022 - Hands-on: First-principles calculation of Hubbard parameters

Sebastian Kokott - Simulating Small Polarons from First Principles: The DFT supercell approach

First principles calculations of light-ion reactions

F Aryasetiwan - First principles method for calculating the Hubbard U I

Quantum electrodynamical density functional theory: First principle approach to cavity QED