Clas Persson

We explores materials for various applications and technologies, like metal casting, solar-energy conversion, quantum technologies as well as layered material structures for low-dimensional systems. The research also covers related studies of mesoscale particle agglomeration, ice/water interfaces, sensors, and power batteries. We model, calculate, as well as analyze materials and material structures in order to understand fundamental material physics, support experimentalists in their work, but also to explore new types of material structures and intriguing phenomena.

Ab initio studies of cross-interface interactions and adhesion of mesoscopic particles at high temperatures are complemented by analyzing dispersion forces. In-depth understanding of the interfacial interactions is critical for further advances in material processing techniques. Our proposed methodology can be applied over a wide temperature range and for various macro- and mesoscopic liquid-solid systems.

The scientific approaches to describe the materials are based on the Kohn-Sham method within the density-functional theory. By modeling the material on atomistic and nanoscale, we study the electronic, optical, magnetic properties, the stability of the materials, the dielectric responses, impact of defects or alloying, interfaces between materials. Combining the density-functional theory with Green's functions, we models effects that go beyond regular density functionals, and we use physical models to analyze interactions, kinetics and thermodynamics. With this knowledge we tailor-make materials with desired characteristics and behavior for industrial applications.