We are interested in advanced materials chemistry research. A core focus of the research group’s activity is developing and applying new computational methods and enabling technologies to accelerate materials discovery. 

Crystalline Materials

We have strong research interests in the development of porous solids as adsorbents for greenhouse gasses and toxic pollutants, such as formaldehyde. Our extensive expertise also encompasses the development of porous solids for molecular separation applications, including rare gas, aromatic feedstocks, and hydrogen isotopes. We are interested in the development of new ideas and methodologies to tune the adsorption properties and stability of porous materials, and we actively seek out new perspectives and approaches, such as using co-crystallisation strategies to optimise guest selectivity and adsorption kinetics. We are particularly excited about the development of innovative ways to control and tune pore topology in molecular crystals, and we have introduced new ideas to design various types of porous materials, such as hydrogen-bonded organic frameworks and covalent organic frameworks. We have also been at the forefront of developing new methodologies to fabricate state-of-the-art crystalline membranes.

Automation and Computation

Underpinning our research activities are state-of-the-art computational methodologies that predict or screen the properties of new materials. We work with collaborators to use tools like crystal structure prediction to predict structures and screen material properties in silico. We have also developed new automation methodologies to accelerate the discovery of computationally predicted materials and have experience developing AI tools to automatically classify diffraction data from such workflows. Recently, we have used state-of-the-art automation crystallisation methodologies to accelerate the discovery of different polymorphs of porous organic molecular crystals, and our research activity in this area is growing.

Advanced Structural Characterisation

We routinely use advanced structure solutions and in-situ diffraction techniques to study the structure of our materials in real time and unlock structure-property relationships. We have excellent links with leading synchrotron research facilities, such as Diamond Light Source, and collaborators using new diffraction techniques, such as electron diffraction, to characterise the structure of new materials.  

Biography

Marc completed his PhD in supramolecular chemistry with Prof. Michaele Hardie at the University of Leeds. He then moved to the University of Liverpool to work with Prof. Andrew Cooper FRS in the area of materials chemistry. At Liverpool, Marc developed new approaches to design and discover molecular crystals, including using computation and automation through a collaboration with Prof Graeme Day’s group at the University of Southampton.

Marc has a broad range of expertise in supramolecular materials chemistry, lab automation, and computational chemistry and is keen to apply these to the design of new crystalline materials. A key focus of these interests is to develop new materials for sustainable applications and help transform the chemical sciences into the digital age.

Research Group Contact Details

Please see our research groups website for more informaiton about research activities: MALchemy.org