Materials Cloud Courses

Materials Discovery in Challenging Spaces with Machine Learning - Lecture 32

Explore materials discovery using machine learning, focusing on transition metal complexes and metal-organic frameworks with Prof. Heather Kulik from MIT.

• YouTube
• 1 hour 6 minutes
• On-Demand
• Free Video

Iron Oxides and Silicates at Extreme Conditions - Advanced Quantum ESPRESSO Tutorial 2022

Explore iron oxides and silicates under extreme conditions, focusing on spin transitions and their impact on Earth's lower mantle seismology and dynamics.

• YouTube
• 1 hour 4 minutes
• On-Demand
• Free Video

QE Tutorial 2022 - Design of Auxiliary Systems and Connectors for Spectroscopy

Explore advanced quantum mechanics concepts, focusing on Hubbard and Koopmans functionals in linear response, with emphasis on auxiliary systems and spectroscopy design.

• YouTube
• 1 hour 3 minutes
• On-Demand
• Free Video

Spectral Properties of Finite and Extended Systems Using the KCW Code - QE Tutorial 2022

Explore spectral properties of finite and extended systems using KCW code in Quantum ESPRESSO, focusing on Hubbard and Koopmans functionals.

• YouTube
• 1 hour 30 minutes
• On-Demand
• Free Video

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

Explore Koopmans functionals implementation in Quantum ESPRESSO using density functional perturbation theory, enhancing electronic structure calculations.

• YouTube
• 47 minutes
• On-Demand
• Free Video

QE Tutorial 2022 - Spectral Properties of Finite and Extended Systems

Explore spectral properties of finite and extended systems through hands-on exercises using Quantum ESPRESSO, focusing on Hubbard and Koopmans functionals.

• YouTube
• 1 hour 4 minutes
• On-Demand
• Free Video

Accelerating the Calculation of Koopmans Screening Parameters Using Machine Learning

Accelerate Koopmans screening parameter calculations with machine learning techniques in Quantum ESPRESSO, enhancing efficiency in computational materials science.

• YouTube
• 27 minutes
• On-Demand
• Free Video

Koopmans Functionals in Practice - QE Tutorial 2022

Explore Koopmans functionals in Quantum ESPRESSO, focusing on practical applications and advanced techniques for electronic structure calculations.

• YouTube
• 53 minutes
• On-Demand
• Free Video

Koopmans Functionals and Spectral Potential in Quantum ESPRESSO - Tutorial 2

Explore Koopmans functionals in quantum mechanics, focusing on spectral potential connections and applications in materials science.

• YouTube
• 45 minutes
• On-Demand
• Free Video

QE Tutorial 2022 - First-Principles Calculation of Hubbard Parameters

Explore first-principles Hubbard parameter calculations in quantum materials, focusing on chromium oxide and practical applications in advanced quantum simulations.

• YouTube
• 1 hour 54 minutes
• On-Demand
• Free Video

Phonons and Electron-Phonon Coupling Using DFPT+U - Advanced Quantum ESPRESSO Tutorial

Explore phonons and electron-phonon coupling using DFPT+U in Quantum ESPRESSO, focusing on advanced techniques for Hubbard and Koopmans functionals.

• YouTube
• 1 hour 5 minutes
• On-Demand
• Free Video

DFT+U and DFT+U+V: How Does It Work? - Hands-on Tutorial

Explore DFT+U and DFT+U+V methodologies in Quantum ESPRESSO through hands-on exercises, enhancing understanding of Hubbard-corrected density functional theory.

• YouTube
• 1 hour 9 minutes
• On-Demand
• Free Video

Accelerating the Calculation of Hubbard Parameters Using Machine Learning - QE Tutorial 2022

Learn advanced techniques for accelerating Hubbard parameter calculations in Quantum ESPRESSO using machine learning, with a focus on linear response methods and transferability.

• YouTube
• 28 minutes
• On-Demand
• Free Video

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.

• YouTube
• 59 minutes
• On-Demand
• Free Video

Maximally Localized Wannier Functions Using Wannier90 - Hands-on Tutorial

Explore maximally localized Wannier functions with Wannier90 in this hands-on tutorial, part of the Advanced Quantum ESPRESSO series on Hubbard and Koopmans functionals.

• YouTube
• 1 hour 27 minutes
• On-Demand
• Free Video