Quantum transport and excitations

Kristian S. Thygesen is a VILLUM Investigator. He has received a grant of 4 mio. Euro from the VILLUM Foundation for the project "Data-Driven Discovery of Functional 2D Materials".

Kristian Thygesen’s research activities cover:

• Computational materials discovery including automated workflows and data-driven approaches 
• Two-dimensional materials and layered van der Waals structures 
• Many-body perturbation theory for excitations in solids
• Point defects for quantum technology applications
• Energy materials, including photovoltaics and (electro)catalysis 

The Thygesen group develops and applies first-principles methods for the description of ground- and excited state properties of materials.

Links to the group's open source codes and databases:

The GPAW electronic structure code 

The TaskBlaster workflow framework 

The Computational 2D Materials Database (C2DB) 

The Quantum Point Defect Database (QPOD)

The van der Waals Bilayer Database (BiDB)

The Computational Materials Repository (CMR) 

Find Kristian S. Thygesens publications on Google Scholar