DFT
Jul 2, 2022 | Project Showcases
Bachelor Thesis
Computational Physics | DFT | Thesis |In summary, my bachelor project was about a software package used in the research group and how to best run it on our local compute cluster. When I started my bachelor project, the group of Professor Wehling was starting pretty fresh at the university. The project we ended up on was to look at Quantum Espresso, evaluating how it runs best on our local compute cluster Quantum Espresso is a software package implementing Density Functional Theory (DFT), which is a very successful method to calculate electronic properties of materials.