Within the the EU QT-Flagship, the OpenSuperQ consortium will build a cloud-based superconducting quantum computer. As part of this effort, we are currently seeking a Postdoc in Computational Quantum Chemistry, who will work in the Chalmers team modelling physical systems on quantum computers. The aim is to develop algorithms for calculating the electronic structure and energy surfaces of molecules of relevance to prebiotic chemistry, beginning with water and hydrogen cyanide, and to run them on the available simulated and physical quantum hardware. The calculations will benchmark quantum computers and provide tests of quantum advantage and quantum superiority.

Deadline for the application is March 31.

Early assessment of risk for chemical and physical degradation of pharmaceutical active molecules is today done by a combination of calculation and experimental evaluation of degradation pathways. Quantum chemical calculations of tentative chemical degradation pathways is used for selected molecules, but not all degradation pathways are today possible to asses due to computational limitations and limited mechanistic insight. Quantum computers have the potential to overcome the computational bottleneck of traditional computers. However, significant method and hardware development is needed before quantum acceleration of quantum chemical calculations can become competitive. The end goal with this PhD project is to develop and validate methodology that eventually could be used in drug discovery.

This industry PhD project will be done as part of the Wallenberg Centre for Quantum Technology (WACQT). The successful applicant will be employed by AstraZeneca but mainly be placed at Chalmers University of Technology.

Deadline for the application is March 31.

  • Are you interested  in joining the group as a PhD student? One other way currently is to apply for the Excellence PhD student positions within Excellence Initiative Nano at Chalmers.
  • Bachelor and master students interested in pursuing their thesis in the group are welcome to contact Martin Rahm (martin.rahm[at] for discussion. We have several exciting  projects lined up along the topics of prebiotic chemistry, chemical bonding analysis, reactivity prediction and computational material search and design.