PhD Position in Computer Science / Computational Chemistry

We have an opening for a PhD candidate in the TACsy (Training Alliance for Computational Systems Chemistry) Marie-Skłodowska-Curie Joint Doctoral Network. This network consists of fifteen (15) highly interlinked PhD projects, of which this particular call is for a position with a focus on theory for Computational Systems Chemistry. The application deadline is 5 June,2024. The anticipated start date is as soon as possible.

We are seeking an excellent and highly motivated individual with an MSc degree in computer science, computational chemistry, or a related subject. The ideal candidate has familiarity with one or more of the following areas: algorithmics, graph theory, graph transformation, algorithm engineering, machine learning. Proven competences in programming and ease with formal thinking are a necessity.

The general goal of the TACsy project is to expand and apply the consortium’s existing methods and computational techniques, which are based on modeling reaction networks as graph transformations, thereby extending our abilities to reason about biochemical systems.

One potential focus area of the PhD project is the application of mathematical techniques to the modelling of atom tracking in chemistry. Atom tracking is used to understand the underlying reactions and interactions of chemical or biological systems, usually by using isotopic labelling methods. In a typical isotopic labelling experiment, one or several atoms of some molecule of the chemical system under examination are replaced by an isotopic equivalent. These compounds are then introduced to the system, and the resulting product compounds are examined, e.g. by mass spectrometry. From a theoretical perspective, developing a formal framework for tracking atoms through reactions is an important step towards understanding the possible behaviours of a chemical or biological system. 

This PhD project is a joint degree between two of the academic partners of TACsy (see list below). Exactly which two partners will depend on the details of the project, and will be worked out in cooperation with the applicant. Additionally, the student will have a three months internship at BASF SE (Germany).

The TACsy consortium encompasses 11 partners across six countries in Europe and North America, including both academic institutions and industrial partners. The consortium consists of world-class scientists with competences spanning chemistry, biochemistry, computer science, and machine learning. All fifteen doctoral candidates will work with two research groups, and will obtain a degree from both host institutions, and complete research stays either at world-leading industry partners or at prestigious non-European academic partners:

• University of Southern Denmark (DK)
• University of Vienna (AT)
• Leipzig University (DE)
• Friedrich-Schiller-University Jena (DE)
• TU Vienna (AT)
• The University of Sheffield (UK)
• European Molecular Biology Laboratory (EMBL)
• BASF SE (DE)
• Fluigent SA (FR)
• Thermo Fisher Scientific GMBH (DE)
• Harvard Medical School (US).

The candidates will all be part of a strong joint PhD training programme, with a focus on career development, application writing, communication skills, and community building through scientific summer schools.

All candidates will be expected to:

• Have potential for conducting outstanding research, as demonstrated by scientific accomplishments (in particular quality of thesis, but also publications, code repositories, conference presentations, outreach activities, etc.).
• Be interested in working in a multidisciplinary and international research environment.
• Have excellent communication skills in English, verbally as well as in scientific writing.
• Be willing to undertake international research stays, internships, and travels.

See details about the network as a whole, its scientific content, and the application and selection process here.

Deadline: 5 June 2024.

Please see the full call, including how to apply, on www.sdu.dk.