In this Webinar I will discuss the complexity associated with some Pd-catalyzed cross-coupling reactions (e.g. in terms of Pd catalyst speciation and reaction outcomes). I will then describe how we have used…
This presentation will look at some of the challenges and progress made in automating Chemical HTE and associated flow of data between systems. Biography Simon gained his MChem in Chemistry…
Automated executions of chemical synthesis and discovery has risen as a critical enabling technology. New tools combining advanced robotics with experiment planning by machine learning, known as self-driving labs, are…
Numerous disciplines, such as image recognition and machine translation, have been revolutionized by using machine learning (ML) to leverage big data. In organic synthesis, providing accurate chemical reactivity prediction with…
Chromatographic Data are the main source of information for any work involving the synthesis or analysis of small molecules – We have developed a software package for the analysis of…
The synthesis of molecular materials and supramolecular systems is challenging – in part because their formation and self-assembly is strongly influenced by reaction environment. We use three approaches to control…
The vast space of all theoretical open shell transition metal catalysts challenges conventional experimentation or computation (i.e., with density functional theory, DFT). I will describe how we have built tailored…
Traditionally, discovery in catalysis is an empirical process that is mostly reliant on human knowledge and intuition and often involves extensive, iterative trial-and-error screening rather than quantitative predictions. This is…
Since the 1930s, fixed bed reactors (FBR) have been operated for continuous hydrogenation reactions in the petrochemical/fine chemical industries, with publications each year detailing engineering principles, scientific breakthroughs, equipment design…
When: 2 – 3 November 2022, 11:45 – 17:25 GMTWhere: Online The UK Catalysis Hub and Centre for Rapid Online Analysis of Reactions (ROAR) hosted a virtual meeting to discuss…
