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 supramolecular synthesis and/or self-assembly: 1) tuning the building blocks;1 2) varying the interaction strength between building blocks,2and 3) controlling the reaction…
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 representations for accelerating the prediction of open shell transition metal complex properties and subsequently extended this effort to prediction of…
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 a consequence of the very large and highly multidimensional search space where even minor changes in the catalyst structures can…
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 and setup, from these industries. Only in the last two decades, FBR have started to be utilized in the pharmaceutical…
The University of Aberdeen has just put out an advert for 20 five-year fellows as part of our Aberdeen 2040 interdisciplinarity drive. These fellowships will provide exceptional researchers with an opportunity to carry out a large programme of independent research within the Aberdeen 2040 thematic areas. In the Department of Chemistry…
The three-year post, funded by the BBSRC, is available to work on the development of a carboxyl methyltransferase enzyme and its integration into enzyme cascades with acyl transferases for the synthesis of amides. This project is part of our research in biocatalytic recycling of plastic and generation of biodegradable polymers. We have recently…
It is with great sadness that we hear of the death of Her Majesty The Queen, Queen Elizabeth II. As the longest serving monarch in British history, The Queen has been a constant for the UK through the changing world of the last 70 years. Her long reign has seen transformative advances…
Ambitious and talented individuals with a background in aspects of electrochemistry or sonochemistry are invited to apply to join our multidisciplinary research team investigating new methods for manufacturing net zero chemicals and fuels from carbon dioxide. Specifically, the project will focus on developing cutting edge catalysts and methods for carbon…
The “X-ray Microscopy in Catalysis” (XRM) group based at KIT strives to understand the structure and function of heterogeneous catalytic materials and processes – promoting efficient chemical synthesis, energy conversion technologies, and emissions control. To achieve this, we perform advanced X-ray imaging studies at synchrotron light sources – allowing deep…
We are seeking a postdoctoral research fellow to work on an EPSRC funded multi-institutional project – Nitridic and Carbidic Interstitial Pd Nanoparticles for Directed Catalysis. This is an interdisciplinary partnership between researchers at the University of Southampton (Dr Peter Wells, Dr Marina Carravetta, and Prof. Chris Skylaris), Queen’s University Belfast…
