Aarhus University Seal / Aarhus Universitets segl

Job openings

Post Doc and PhD positions in Theoretical Chemistry

At the qLEAP center, there are post doc and PhD positions available. Hiring in these positions will take place concurrently and applicants are kindly requested to send an application to one of the members of the permanent staff of the qLEAP center.

The research at the center is focused on new developments in theoretical chemistry in general and electronic structure theory in particular. Quantum chemical subjects covered include linear-scaling Hartree-Fock (HF) and linear-scaling coupled cluster (CC) theory. The topics covered includes also calculation of molecular properties for these models using response theory as well as benchmarking the accuracy of the developed models. Particular focus at the moment is on further development of the linear-scaling Divide-Expand-Consolidate (DEC) coupled cluster method to comprehend the CCSD and CCSD(T) models using massively parallel implementations.

The developed methods are applied in contexts related to modern chemical experiments. Examples of phenomena to be addressed include non-linear optical (NLO) experiments, electronic excitations through one- and two-photon mechanisms, as well as magnetic circular dicroism. Applications may also relate to both fast laser experiments as well as more traditional spectroscopic experiments (IR, UV, NMR) and general physical chemistry in both gas phase and solution. Some applications are in direct collaboration with experimentalists.

For further information, please contact Poul Jørgensen or Jeppe Olsen.