Materials Theory

Research at the Materials Theory programme focuses on methodological development and application of electronic structure theory, dynamic mean field theory, time-dependent density functional theory, magnetization dynamics, molecular dynamics and lattice dynamics. The applications of these methods involve functional magnets, superconductivity and material for green energy conversion (for example functional magnets, battery materials, materials for solar cell application and materials for storing hydrogen). Moreover, materials in reduced dimensions are investigated, as are driven quantum systems, semi-conducting materials and materials with correlated electronic structures. Furthermore, researchers of the programme study materials under extreme states (high pressure and temperature) as well as materials for biotechnologies.

Materials Theory is a research field where the focus lies on a quantum mechanical description of materials. The research is aimed at understanding materials properties, e.g. superconductivity and topological phases. There is a strong emphasis on making predictions of new functional materials, with desired properties, and to develop the theoretical tools with which we describe materials.

Technologies that we take for granted, such as wind turbines for green electricity, mobile phones and hospital devices for diagnostic investigations, are made possible thanks to intelligent choices of materials. To create new and hopefully greener technologies, we need materials better suited for the challenges humanity faces. The work at the division of Materials Theory is divided into two research programmes, Materials Theory and Quantum Matter Theory. The research is theoretical, but there is also a large component of cooperation with experimental activities at laboratories all over the world. The research is based on quantum mechanics, quantum field theory, and many body theory, where both mathematical and numerical methods are used. The aim with our research is to understand the properties of the materials at a microscopic level and to be able to predict properties of new functional materials.

Often our research projects can be characterized as both ground research (curiosity) and cross-over research. Since we study the properties of real bodies, the application is very high, but in general it is not the application that motivates us. Our greatest aim is to construct materials with properties unthought-of that will help the future life on Earth.

It is rooted in physics, chemistry, mathematics, and more and more even in biology. In the research, analytic and numerical methods are used to understand, and predict if possible, properties of materials, like for example the functional materials used in our everyday life. Examples of questions for research are “Can we design a material being able to detect DNA sequences?”, “What is the optimal materials combination for solar energy converters?”, “How fast can a material react on light impact?”, “Is there any optimal magnetic material for green energy conversion?” and “How can one understand superconductivity?”.