Prof. Thygesen develops and applies first-principles methods based on density functional theory and many-body perturbation theory to describe the electronic structure of materials with a particular focus on nanostructured and low-dimensional materials. He is also interested in data-driven approaches to materials design and the development of automatized high-throughput workflow software. Prof. Thygesen is heading the section for Computational Atomic-scale Materials Design (CAMD) at the Technical University of Denmark, where he co-develops the GPAW electronic structure code, the Atomic Simulation Environment (ASE), and the Computational Materials Repository (CMR).
Chemistry and Materials