Computational Workflows for an Accelerated Design of Novel Materials - QE School 2023 Lecture 5.3

Explore computational workflows for accelerating the design of novel materials in this lecture from the Advanced Quantum ESPRESSO school. Delve into Hubbard and Koopmans functionals from linear response, gaining insights into cutting-edge techniques for materials science research. Learn how these advanced methods can streamline the process of discovering and developing new materials with desired properties. Understand the application of quantum mechanical principles in practical computational workflows, enhancing your ability to predict and design materials at the atomic scale. Benefit from the expertise shared in this comprehensive presentation, which is part of the Materials Cloud educational resources and the Advanced Quantum ESPRESSO school held in Pavia in 2023.

QE school 2023 - 5.3 Computational Workflows for an Accelerated Design of Novel Materials