Tag Archives: computational material science

Computational Material Science

Here you can find my new presentation on Computational Material Science. In the first part I brifely present Density Functional Theory (DFT) and Time-depdent Density Functional Theory (TD-DFT) and then different applications.Then I show how these methods can be coupled with “high throughput computing”, “evolutionary algorithms” and “machine learning”. Here the presentation in Libreoffice format:… Read More