Flow/computational mini-symposium

There is much interest in the utilisation of automated technologies, including flow and robotic systems, in improving chemical reaction optimisation and productivity. The generation of large datasets (i.e. data from thousands of reactions) has the potential to enable a fuller understanding of reaction selectivity and mechanism(s), particularly when side products are formed and/or when catalyst deactivation occurs. On the other hand, computational studies have revolutionised our understanding of chemical reactions, particularly processes involving transition metal catalysts. Indeed, there is much promise in employing computational approaches to aid chemical reaction optimisation. We are delighted to bring together a symposium showcasing the research of three talented UK-based scientists working on improving chemical synthesis and catalytic processes using automated technologies and computational approaches.

The symposium is supported by Centre for Future Health (a joint University of York / Wellcome Trust initiative), specifically the project titled “Pharmaceutical Optimisation using a Laboratory Automated Reaction Intelligent System (POLARIS)”, led by Prof Ian Fairlamb.

Mini-symposium: "Improving chemical synthesis and catalysis using automated technologies and computational approaches"

Chair: Prof Ian Fairlamb, Department of Chemistry, University of York

2.00–2.40 Dr Steve Christie, Loughborough University, "Integration of 3D printing with automation; Opportunities for Reaction Optimisation"

2.40–3.20 Dr Natalie Fey, University of Bristol, "Towards in silico Catalyst Discovery and Optimisation"

3.20–4.00 Dr Richard Bourne, University of Leeds, "Self-optimising Flow Reactors for Process Development"