Postdoc Positions in the Chalmers Molecular Spectral Design Initiative

Information about the project
This project aims to facilitate the computational study of optical effects arising in modified base pairs and photoswitches when they are incorporated into an RNA/DNA environment. The challenge we face is that the general analysis of electronic structure today is (typically) reliant on Kohn-Sham (KS) Density Functional Theory (DFT). This methodology is the veritable engine of computational material science, chemistry, and physics because it provides an attractive balance between accuracy and cost. However, KS-DFT suffers from several well-known drawbacks. Foremost among these limitations is the tenuous connection between the energies of KS-DFT eigenstates (the orbitals) and physical reality as revealed, for example, in optical excitations. Crucial leadups to this project is development of a formally exact and orbital-free DFT expression for the average energy of electrons, and beyond state-of-the-art DFT methodology exceptionally well suited to describe base-pair interactions. In the Chalmers Molecular Spectral Design Initiative, you will help to combine these advances, with for example, Koopman-compliant, generalized Kohn-Sham or time-dependent DFT methodologies and for chemical bonding analysis. As a postdoctoral researcher in this project (two will be hired), you will work on theory and modeling. However, analysis and design efforts will leverage extensive experimental spectroscopic data and insight from derivatives of RNA/DNA nucleobase analogs and DNA-bound molecular photoswitches.

About the participating research groups 
This project proceeds in close collaboration between four groups at Chalmers University of Technology, one focused on quantum chemistry (Martin Rahm), one on formal theory of density functional methods (Per Hyldgaard), and two in synthesis and characterization of photoactive molecular materials (Marcus Wilhelmsson and Joakim Andréasson). The two positions will be hosted by the Rahm and Hyldgaard groups, in the Chemistry and Chemical Engineering (K) and Microtechnology and Nanoscience (MC2) departments, respectively.

About the area of Advance Nano
All four participating research groups of the Chalmers Molecular Spectral Design Initiative are part of Chalmers Area of Advance (AoA) Nano. The AoA Nano is a cross-departmental research structure at Chalmers focusing on phenomena at the nanoscale often in interdisciplinary teams combing subjects like chemistry, physics, biology, and micro- and nanotechnology. As a postdoctoral researcher in the Chalmers Molecular Spectral Design Initiative, you will have the opportunity to collaborate closely with PhD students and postdocs active in the AoA Nano, AoA Production, and AoA Materials activities, partake in community events, seminar series etc.

Major responsibilities
As a postdoctoral researcher in the Chalmers Molecular Spectral Design Initiative, you will help to:
- Develop a chemistry-inspired Density Functional Theory (DFT)-based approach for predicting UV/Vis spectra of large molecules.
- Enable the next generation of DFT-based chemical bonding analysis that can help design for new biochemistry functionality.
- Combine both 1 and 2 to study and explain the optical effects of modified base-pair stacking and DNA-binding of molecular photoswitches.

Your major responsibility as postdoc is to perform your own research in a research group. The position may also include teaching on undergraduate and master's levels as well as supervising master's and/or PhD students to a certain extent. Another important aspect involves collaboration within academia and with society at large. The position is meritorious for future research duties within academia as well as industry/the public sector.

Qualifications
To qualify for the position you must have a PhD in computational/theoretical physics or chemistry or equivalent, awarded no more than three years prior to the application deadline (according to the current agreement with the Swedish Agency for Government Employers). You have experience of electronic structure calculations; good programming skills; fluency in English, oral and written; interest and skills in working collaboratively as well as independently. Expertise in coding for DFT method progress is an advantage, especially so when related to GW or time-dependent, generalized KS, or Koopman-compliant DFT. Experience of Swedish is not a requirement for this position, but if you have an interest in learning Swedish, Chalmers offers free courses.

Contract terms
The postdoc position is a full-time temporary employment for two years.

Application procedure
To read more and apply, please click here. 

Application deadline: August 20, 2023

 
For questions, please contact:
Martin Rahm, Associate Professor
E-mail: martin.rahm@chalmers.se

Per Hyldgaard, Professor
E-mail: hyldgaar@chalmers.se


*** Chalmers declines to consider all offers of further announcement publishing or other types of support for the recruiting process in connection with this position. ***