Research
TBI was founded by Peter Schuster in 1995 with the goal of extending theoretical chemistry to a broader range of molecular and biological questions. Much of the group’s early work centred on RNA structure and folding, molecular evolution, sequence–structure relationships, and the organization of complex biological systems. RNA proved especially well suited to this approach, bringing together physical models, theoretical concepts, and computational algorithms to investigate how molecular structure and function emerge.
Over time, this foundation has grown into two broad research directions. Computational RNA research, led by Ivo Hofacker, focuses on structural ensembles, folding dynamics, molecular interactions, and the design of RNA molecules with specific structures or functions. In parallel, Christoph Flamm leads research in algorithmic chemistry, developing computational representations of molecules and chemical transformations to analyse reaction rules and networks and to explore large chemical spaces and possible reaction pathways.
Today, our research spans the structures, dynamics, interactions, and transformations of molecular systems, including the different pathways through which they can evolve. We increasingly use computation for design as well as analysis, asking which sequences, structures, or reaction pathways can give rise to particular properties or behaviours. The projects below illustrate how these ideas are being pursued across our current research.
