PhD position in the XLTRANSNANO project: Multiscale Modelling of Long-Distance Electronic Transport and Chiral-Induced Spin Selectivity in Supramolecular Nanostructures

In the context of the NWO Vidi project of Dr. Björn Baumeier, a 4 year PhD position is available at the Centre of Analysis, Scientific computing and Applications (CASA) in TU Eindhoven's Department for Mathematics and Computer Science.

Context:
Long distance electronic transport (LDET) and chiral-induced spin selectivity (CISS) are two extraordinary emergent electronic phenomena observed in nanostructured molecular materials. Presently the underlying physicochemical origin related to the mechanisms of the dynamics of excitations is not understood.

The aim of the project is to answer the fundamental question 'What is the relation between the chemical structure and architecture of molecular building blocks, their electronic structure, the local linking and packing, the large-scale morphology and the dynamics of electronic excitations giving rise to LDET and CISS?'. We develop a comprehensive set of multiscale computer simulation methods that allow for a bottom-up simulation of charge and exciton/energy dynamics in large-scale supramolecular materials in an unprecedented manner by combining techniques from computational chemistry, statistical physics, and mathematics.