Research Interests
Defect Chemistry
We investigate defects and defect-related properties in functional materials. This comprises thermodynamics and electronic properties, defect-controlled ferroelectricity and magnetism.
Surface Science
Ab initio simulations can provide atomistic insights into ultrafast processes and materials stability, allow to distinguish the role of different factors on surface chemistry and catalytic activity, and facilitate a search for novel materials.
Nanoelectronics
Our group is interested in materials related to emerging semiconductor nanostructures, post-CMOS nanoelectronic devices, spintronics, and neuromorphic computing.
Materials Informatics
Our approach integrates first-principles-based simulations with data analytics models aimed to predict material properties based on interpretable and physically meaningful descriptors.
Sponsors
