"First-principles” modelling has become a major scientific discipline on its own. By first-principles one understands the use of the fundamental quantum mechanical laws of nature to describe the behaviour of electrons and atoms in solids or molecules. The properties of these should emerge from the numerical solution of these laws. The models here are in fact a faithful representation of reality, but in a controlled environment.

AtomEliX (Atomistic ElectroniX) is a research group dedicated to the theory, modelling, and simulation of the optoelectronic, magnetic, and structural properties of materials and devices starting from  an atomistic description. We are particularly interested in low-dimensional and quantum materials.