Atomic-level Simulation of Nanoelectronics

Nanoscale systems, such as molecules or graphene-based structures, exhibit unique properties that are extremely important for developing new nanoelectronic devices.

The main objective of this project is to contribute to the understanding of the electronic processes occurring in such low-dimensional structures. With this aim, ab initio simulations of electronic and/or transport properties will be performed using powerful computational tools based on density functional theory (DFT). Such tools allow to study different atomic scale effects, such as the influence of spin properties or interference patterns.

The theoretical project described here might benefit from our close collaboration with experimental experts in the field.