Density Functional Theory: Introduction and Applications

Category: Webinar

Description: In this webinar, Dr. Schleife will briefly outline the fundamentals of DFT, and demonstrate how to use Quantum Espresso in nanoHUB to compute electronic structure, electronic densities of state, total energies, and bulk modulus for example materials.

Author/Speaker: André Schleife, Ph.D., Associate Professor at University of Illinois at Urbana-Champaign