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. General analysis of electronic structure today is (typically) reliant on Kohn-Sham (KS) Density Functional Theory (DFT).  However, KS-DFT has but a 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 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, Koopmans-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 while leveraging 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 many opportunities to broadly collaborate and to 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.

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 Koopmans-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
Each postdoc position is a full-time temporary employment for two years.

We offer 
Your starting date is negotiable but the sooner the better. We offer a competitive salary and excellent working conditions. Chalmers offers an inspiring working environment in the coastal city of Gothenburg. Read more about working at Chalmers and our benefits for employees.

Chalmers aims to actively improve our gender balance. We work broadly with equality projects, for example the GENIE Initiative on gender equality for excellence. Equality and diversity are substantial foundations in all activities at Chalmers.

Further Details and Application procedure
https://www.chalmers.se/en/about-chalmers/work-with-us/vacancies/?rmpage=job&rmjob=11920&rmlang=UK