Online Presentations (1-2 of 2)

1. Density Functional Theory: Introduction and Applications

   Online Presentations | 07 Nov 2022 | Contributor(s):: André Schleife

   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.

2. MSE 498 Lesson 8: DFT

   Online Presentations | 17 Mar 2015 | Contributor(s):: Andrew Ferguson

   This new course will give students hands-on experience with popular computational materials science and engineering software through a series of projects in: electronic structure calculation (e.g., VASP), molecular simulation (e.g., GROMACS), phase diagram modeling (e.g., Thermo-Calc), finite...