Class Central is learner-supported. When you buy through links on our site, we may earn an affiliate commission.

YouTube

Implementation of DFT in Quantum ESPRESSO - 02

Materials Cloud via YouTube

Overview

Coursera Flash Sale
40% Off Coursera Plus for 3 Months!
Grab it
Learn the fundamental implementation aspects of Density Functional Theory (DFT) in Quantum ESPRESSO through this comprehensive lecture by Dr. Ralph Gebauer from the 2017 ICTP workshop. Explore the core computational components including pseudopotentials (PPs), plane waves (PWs), Fast Fourier Transform (FFT) algorithms, and k-point sampling methods that form the foundation of electronic structure calculations. Gain deep insights into how these mathematical and computational techniques are integrated within the Quantum ESPRESSO software package to perform accurate first-principles calculations of materials properties. Understand the theoretical background and practical implementation details that enable efficient DFT calculations for studying electronic, structural, and optical properties of condensed matter systems.

Syllabus

02. Gabauer - Implementation of DFT in QE (2017 ICTP)

Taught by

Materials Cloud

Reviews

Start your review of Implementation of DFT in Quantum ESPRESSO - 02

Never Stop Learning.

Get personalized course recommendations, track subjects and courses with reminders, and more.

Someone learning on their laptop while sitting on the floor.