Job description:
The Heyrovský Institute offers a position (100%) in the scientific team of the Department of Space Chemistry and Technology, focusing on theory for the prediction of fragmentation trees in mass spektrometry. The position is intended for a senior researcher with a highly specialized interdisciplinary profile at the interface of graph theory, combinatorics, exact graph algorithms, molecular graph analysis, cheminformatics, and mass spectrometry. The successful candidate will develop mathematically rigorous and computationally efficient graph-based methods for the representation, comparison, transformation, and interpretation of complex molecular structures and mass-spectrometric data. Applicants must demonstrate documented expertise across the following interconnected areas: labelled and molecular graphs; exact and enumerative graph algorithms; maximum common subgraph enumeration, particularly in multiple labelled or molecular graphs; graph transformation and graph-rewriting rules; graph alignments; fragmentation-tree modelling; chemically constrained fragmentation spaces; explainable annotation of mass spectra; computational lipidomics; and algorithmic cheminformatics for mass spectrometry. The role requires the ability to connect discrete-mathematical theory with mechanistic and interpretable models of molecular fragmentation processes. Strong programming skills in Python-based scientific computing, including NetworkX-style graph analysis, machine-learning workflows, and graph-based analysis of chemical or biological data, are expected. The researcher will work in an interdisciplinary environment connecting graph algorithms, physical chemistry, microfluidics/mass spectrometry, chemical sensing, and complex molecular systems.
General requirements:
Applicants should hold a PhD in graph theory, combinatorics, computer science, cheminformatics, computational chemistry, or a closely related field, together with a publication record demonstrating the ability to bridge rigorous mathematical methods and experimentally relevant chemical applications.
Expected start date: 1.9. 2026 or by agreement
Duration of position: 12 months (possible of extention)
The application must include:
Cover letter, CV, copies of diplomas, a brief summary of previous research activities, and a complete list of publications.
Send the application with the required attachments by e-mail to: Tato e-mailová adresa je chráněna před spamboty. Pro její zobrazení musíte mít povolen Javascript. and Tato e-mailová adresa je chráněna před spamboty. Pro její zobrazení musíte mít povolen Javascript..
Include the reference code SC2026_17 in the subject line of your email.