← Team

Daniel Merkle leads the Algorithmic Cheminformatics group at Bielefeld University, affiliated with the Faculty of Technology and the Center for Biotechnology (CeBiTec). His work develops algorithmic and rule-based methods for chemistry — in particular graph transformation for modelling chemical reactions, and the analysis and design of complex chemical reaction networks — at the interface of computer science, mathematics, chemistry, and systems biology.

He leads and contributes to interdisciplinary projects on computational systems chemistry and reaction-network modelling (see our projects), with collaborators including the University of Vienna, the University of Leipzig, and Harvard Medical School.

Research interests

  • Graph transformation and rule-based modelling of chemical reactions
  • Analysis and design of chemical reaction networks
  • Algorithms for molecular structures and chemical graphs
  • Computational systems chemistry