The new scale is derived from photoionization data and ab initio calculated energies and provides hints for new alloy/compound designs.
An early view can be found here !

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 January 31. Interested candidates can apply here.

We are hiring a Postdoc in Theoretical Chemistry !

This postdoctoral research project revolves around a recent approach for analyzing electronic structure, “Experimental Quantum Chemistry”. The basis for this framework is an energy partitioning analysis that allows for the interchangeable use of experimental and quantum mechanically computed data. The objectives of the postdoctoral position are to develop general chemical concepts within this theory framework, to write code that allows for implementation on molecular and crystalline systems, and to pursue validation through computational design of new materials.

Deadline for the application is November 23.

Martin Rahm will be attending the 2nd European Symposium on Chemical Bonding (ESCB2) in Oviedo on the 3-7th of September. The purpose of this trip is to present a methodology for chemical bonding analysis, and to meet and share interesting results with leading researchers in the field.

In preparation for the meeting, our group have taken on the BondSlam2018 challenge! Martin will try to stand his ground in debate and argue for the need of more validation efforts in Quantum Chemical Topology . Interested chemists are encouraged to join the discussion online or in person!

Martin Rahm presented new results on “Electron Configuration and Electronegativity of the Atoms under Compression” at a special “Materials in Extreme Environments” ACS symposium in Boston this august. Leading researchers in the high pressure material science community attended – it was great fun!

Kasper Tolborg, an expert in synchrotron measurements of electron densities, is visting the group from Aarhus. Kasper will be analyzing the chemical bonding in layered van der Waals materials. Welcome Kasper!