An understanding of the magnetic properties of complex materials is essential for many projects of technological interest.
Understanding correlation effects in strongly correlated systems., i.e. the interplay of kinetic and Coulomb energy in many-body systems, is one of the biggest challenges in modern condensed-matter physics.
The density functional formalism provides a method for calculating the energy of molecular systems as a function of the atomic positions.
How does friction arise when driving a car? How do Formula-1 tires work? Why can geckos and grasshoppers climb walls?
FLEUR allows us to investigate materials properties on a quantum mechanical level.
Investigations of functional oxide materials and their interfaces with the goal of understanding the interplay between bulk and defect properties.
Fuel-cell membranes, photovoltaic absorbers, or energy-storage materials can be investigated and optimized using density functional theory and techniques beyond DFT.
Exotic forms of spin-related transport properties of materials, e.g. the spin-torque, the spin-Hall and anomalous-Hall effect, the quantum spin-Hall effect, and the anisotropy of transport and relaxation coefficients are explained with the help of density-functional calculations.
Implementing specific electrical functions in single molecules by tailored synthetic molecular design represents one of the main visions of the molecular electronics approach for constructing future nanodevices.
Merging the concepts of molecular electronics with spintronics opens one of the most exciting avenue in designing and building future nanoelectronic devices.
The goal of the JL-VMD is the development and validation of methods for computational material development.