Research Fellow in Theoretical and Computational Spectroscopy

We are seeking a highly motivated Postdoctoral Research Associate in the field of Theoretical and Computational Chemistry to develop accurate models of time-resolved X-ray photoelectron spectroscopy (TRXPS) experiments of gas phase molecules. The successful candidate will be based in Southampton and work in the groups of Dr Karl Michael Ziems and Prof Russell Minns with close collaboration with Prof Sonia Coriani at the Technical University of Denmark. The project will seek to develop our understanding of satellite state in TRXPS measurements and how these can be used to track photochemical change. See https://doi.org/10.48550/arXiv.2506.14498 for a recent example.

The position is funded for 3 years via a Leverhulme Trust grant with an anticipated start date of the 1^st November 2025 or as soon as possible thereafter. The project will involve development of new computational approaches to unravel the chemistry and physics behind the experimental investigations at Free Electron Laser Facilities. The successful applicant will join a vibrant and interdisciplinary project encompassing several theoretical and experimental research groups that use a wide variety of methods to study photochemical processes.

Essential Duties and Responsibilities:

• Perform computation studies using quantum chemistry software
• Develop and adapt methods for electronic structure theory
• Manuscript preparation and presentation of results at national and international meetings.

Required Knowledge, Skills, and Abilities:

• PhD or equivalent qualifications / experience in Theoretical or Computational Chemistry or related area.

Preferred Knowledge, Skills, and Abilities:

• Experience of method development in quantum chemistry.
• Demonstrable coding experience for example with python, fortran, C++ or others. 
• Experience in modeling spectroscopic observables.
• Experience in quantum and semi-classical dynamics

As a founding signatory of the Athena SWAN charter, and holder of a silver award, we’re committed to improving equality.

We aim to create an environment where everyone can thrive and are proactive in fostering a culture of inclusion, respect and equality of opportunity. We believe that we can only truly meet our objectives if we are reflective of society, so we are passionate about creating a working environment in which you are free to bring your whole self to work.

As well as additional benefits that will make your life easier, such as a generous holiday allowance and additional university closure days. We will help you find a good work-life balance with flexible, or even part-time, working hours. We will support your long-term future too, with access to the Universities Superannuation Scheme (USS)*, subsidised health and fitness facilities and a range of discounts.

For additional information or informal enquiries please email K.M.Ziems@soton.ac.uk or r.s.minns@soton.ac.uk.

Applications for Research Fellow positions will be considered from candidates who are working towards or nearing completion of a relevant PhD qualification.  The title of Research Fellow will be applied upon successful completion of the PhD.  Prior to the qualification being awarded the title of Senior Research Assistant will be given.

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