Annika Bande (University Hannover)

Abstract

Annika Bande

University Hannover

The theory of electron dynamics solves the time-dependent Schrödinger equation and allows to predict the electronic motion in molecular structures. It enables an understanding of the fundamentals of chemical reactivity and of intricate ultrafast and light-driven processes, which will be supported in the presentation by a didactically sound visualization of excitation processes in addition to the basic explanation of the theory.

Given a few examples of real-world problems, which somehow show the prevailing limitation in terms of nanostructure representation, description of an electronic continuum or nuclear dynamics effects will turn the focus towards new developments in the field of electron dynamics simulations. Specifically, ground-work on modern compute strategies will be highlighted: machine learning from the field of data science and quantum simulations from the field of quantum information technology.