Exploring the Synergy Between a priori Computational Intelligence and Flow Process Development

Monday, 25 March 2024 at 16:00

Add to Calendar ▼2024-03-25 16:00:002024-03-25 17:00:00Europe/LondonExploring the Synergy Between a priori Computational Intelligence and Flow Process DevelopmentFlow Chemistry European Summit 2024 in Rotterdam, The NetherlandsRotterdam, The NetherlandsSELECTBIOenquiries@selectbiosciences.com

The assets of flow chemistry for (re)exploring forbidden chemistries and new process windows are now well established. However, when experimental data is lacking, developing a flow process can sometimes be cumbersome, time- and resource-intensive. This talk illustrates our efforts to lessen the experimental burden and to accelerate the development of new reactions and flow processes. Our work lies at the interface of computational chemistry and flow organic chemistry, and converges toward a quantum assistant that merges computational chemistry and machine learning. This predictive model scouts for the vast and new chemical space that flow chemistry provides. Not only will this assistant help you to decide whether your reaction is doable in flow, but it also provides the best conditions for the preparation of libraries within minutes.

Jean-Christophe Monbaliu, Professor of Organic Chemistry, Center for Integrated Technology and Organic Synthesis (CiTOS), University of Liège

Jean-Christophe Monbaliu

Jean-Christophe M. Monbaliu, born in Brussels, Belgium, studied chemistry at the Université catholique de Louvain, Belgium, where he received his Ph.D. in Organic Chemistry. In 2008, he started a postdoc at the Faculty of Bioscience Engineering of the Ghent University, Belgium, where he was later appointed as a postdoctoral associate of the Research Foundation-Flanders. In 2010, he was awarded a Belgian American Educational Foundation fellowship that triggered his relocation to the USA. He joined the Center for Heterocyclic Compounds at the University of Florida, Gainesville, USA. In 2012, he was appointed at the Massachusetts Institute of Technology (MIT), Cambridge, MA, USA. In 2013, he came back to Belgium and settled at the University of Liège. Monbaliu created the Center for Integrated Technology and Organic Synthesis (CiTOS), where he is currently developing new methods for organic synthesis using micro- and mesofluidic reactors. CiTOS is the first European Corning® Advanced-Flow™ reactor (AFR) qualified lab.