What we work on
Research
We develop algorithmic, combinatorial, and optimization methods for chemistry and reaction networks. The topics below run through our funded projects, from theoretical foundations to applications in metabolic engineering and enzyme design.
Research topics
- Atom tracing using semigroups and saturation-based methods
- Fragment identification from MS peaks using ILP
- Pathway analysis using ILP and SMT
- Chemical space expansion using DPO graph grammars
- (Multiphase) stochastic simulation using Gillespie
- Petri nets and Boolean networks
- … and much more
Ongoing projects
Mathematical Modelling for Microbial Community Induced Metabolic Diseases
Project site
Training Alliance for Computational Systems Chemistry
Project site
Complex chemical reaction networks for breakthrough scalable reservoir computing
Project site