Computer-Aided Supramolecular Chemistry Laboratory

Using automation, computation, and data to shift supramolecular chemistry from discovery to design.

We are a young research group at Durham University working at the interface of supramolecular chemistry, automation, and data-driven molecular design. Our mission is to bridge computational modelling and robotic experimentation to accelerate the creation of functional molecular systems — from molecular cages and receptors to responsive materials and catalysts.

From Molecular Design to Real-World Impact 🔬

Inspired by nature’s precision, we design synthetic molecules that can recognise, react, and adapt. Using computers, laboratory automation, and a data-first approach, we aim to solve pressing challenges in areas such as pollution control, chemical sensing, and catalysis.

We take inspiration from the elegant complexity of biological systems — such as enzymes that selectively bind molecules and steer reactions. Our work explores how to recreate these behaviours using designed supramolecular systems.

We combine:

• Computational modelling to predict molecular properties and interactions
• Automated synthesis and high-throughput experimentation to generate reliable data at scale
• Closed-loop workflows that continuously refine design through experimental feedback

This integrated approach transforms supramolecular chemistry from a trial-and-error process into a predictive, modern, and digital field, helping us refine our understanding of the underlying chemical processes.

We are grateful to our funders!