PhD Position in Computer Science/Cheminformatics/Applied Mathematics

We are looking for PhD candidates to join the TACsy (Training Alliance for Computational Systems Chemistry) Marie-Sklodowska-Curie Joint Doctoral Network. This network consists of fifteen (15) highly interlinked PhD projects, of which this particular call is for project DC 6 Dynamical systems theory for generative chemistries. The application deadline is 23 October 2023. The anticipated start date is 1 January 2024, but flexibility in both directions is possible.

The goal of this project is to develop novel theoretical concepts and software implementations to describe the dynamics of rule-based chemistries at multiple scales and from multiple perspectives. This includes the development of a stochastic simulation engine for rule-based reaction systems specified in the double push-out formalism, alongside with a novel framework to analyse stochastic trajectories in dynamically changing spaces. Departing from an algebraic approach like chemical organization theory (10.1007/s11538-006-9130-8, 10.1137/21M13967) we will harness, in particular, those systems in which through the interaction of their components novel components are generated, which effectively changes the state space these components live in. This should open up a novel perspective on highly diverse molecular systems, including instances of chemical evolution, polymer formation, enzymatic synthesis design, lipidomics, prebiotic chemistries, or multi-functional phase-separated protein complexes in biological cells.

If you are a highly motivated individual with a Master's degree in either computer science, mathematics, physics, or computational sciences/biology being interested in the above mentioned themes, then we invite you to apply for this exciting PhD position in our team.

This PhD project involves the development of theory, algorithms, and software, as well as participation in applications studies in collaboration with scientists and potentially industry from the consortium. The ideal candidate is familiar with one or more of the following areas: algorithmics, graph theory, simulation, dynamical systems, discrete structures/algebra, stochastic systems, complex systems, discrete optimization, theoretical chemistry, theoretical biology, coarse-graining. Strong interests in chemistry as well as proven competences in programming and ease with formal thinking are a necessity.

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

Please note that there are two limitations to apply for this programme, as specified in the MSCA regulations. Applicants must:

• Not be in possession of a PhD degree at the date of recruitment.
• Meet the Marie-Curie mobility rule (see pages 81-82 here). In TACsy, this means the applicants are not eligible for a specific position if it is true for both host institutions of the position that the applicant for more than 12 of the last 36 months has resided or performed a main activity (work, studies, etc.) in the country of that host institution. The host institutions relevant to this rule are for the present call located in (DC 1: Denmark and Germany), (DC 3: Austria and Germany), (DC 6: Austria and Germany), (DC 12: Austria and Denmark), (DC 13: Austria and Denmark).

These positions are subject to the entry into force of grant agreement no 101072930 by and between the European Research Executive Agency and University of Southern Denmark and thereby funded by the European Union's Horizon Europe Research and Innovation Programme.

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