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Chemistry

Professor Graeme Day awarded 2023 Corday-Morgan Prize for pioneering work in computational chemistry

Published: 19 June 2023
Professor Graeme Day
Professor Graeme Day (image credit: Thea Kouraki)

Professor Graeme Day , a member of the Computational Systems Chemistry research section at Southampton, has been awarded the prestigious 2023 Royal Society of Chemistry Corday-Morgan Prize for his pioneering work in developing computational methods for guiding the discovery of functional molecular crystals.

The Corday-Morgan Prize is awarded by the Royal Society of Chemistry (RSC) for the most meritorious contributions to chemistry. Winners of the prize receive a medal and are invited to complete a UK lecture tour.

Computational chemistry is a powerful and versatile tool that allows researchers to simulate and predict the behaviour of atoms and molecules with remarkable accuracy. By providing insights that guide experiments and accelerate discovery, computational chemistry has become an integral part of modern research in chemistry and materials science.

Professor Graeme Day's research is a prime example of the potential of computational chemistry. His work focuses on developing computational methods for modeling the organic molecular solid state, with a key focus on predicting crystal structures from first principles. His research group applies these methods to a wide range of applications, including pharmaceutical solid form screening, NMR crystallography, and computer-guided discovery of functional materials.

Professor Day received his BSc in Chemistry, Mathematics and Computing Science from Saint Mary's University in Canada, before studying for an MSc in Theoretical Chemistry from the University of Oxford and obtaining his PhD in 2003 from University College London. He moved to the University of Cambridge for postdoctoral work and was awarded a Royal Society University Research Fellowship in 2005, which he held until 2012. In 2012 he moved to the University of Southampton as a Reader and was promoted to Professor of Chemical Modelling in 2014.

With over 140 publications to his name, including 5 book chapters, Professor Day is a highly respected figure in the field of computational chemistry. He serves as an Associate Editor for the Royal Society of Chemistry's flagship journal Chemical Science and on the advisory board for the Royal Society of Chemistry's journal Molecular Systems Design and Engineering, sits on the steering committee of the UK Materials Chemistry High End Computing Consortium, and is a member of the EPSRC peer review college.

In addition to the Corday-Morgan Prize, Professor Day has also been awarded the CCDC Chemical Crystallography Prize for Younger Scientists in 2006 and the Molecular Graphics & Modelling Society, Silver Jubilee Prize in 2008, both for his contributions to crystal structure prediction methodologies.

Professor Graeme Day said: "I’m really pleased that the Royal Society of Chemistry has recognised my work in computational materials discovery. I’m lucky to have a great team of researchers working on some very challenging problems in this area and terrific collaborators who are willing to put their trust in predictions based on the computer simulation methodologies that we’re creating. Predicting new materials on the computer is interesting and challenging, but seeing these predictions realised in experiments is the most satisfying part of our work."

His current research is funded by the Engineering and Physical Sciences Research Council (EPSRC), the European Research Council (ERC), and a range of industrial collaborations. He leads the ERC Synergy Grant ADAM – Autonomous Discovery of Advanced Materials, which started in 2020, combining predictive computational methods, automation of materials discovery, and robotics.

Professor Jon Essex , Head of School, said: "I am absolutely delighted that Graeme’s world leading research in the development and application of computational methods for guiding the discovery of functional molecular crystals has been recognised by the Royal Society of Chemistry. His award of the 2023 Corday-Morgan prize is richly deserved, and a testament to the excellent support offered by the University of Southampton for computational modelling, through its significant investments in High Performance Computing."

The Royal Society of Chemistry Corday-Morgan Prize Committee selected Professor Day as the winner of the 2023 prize for his outstanding contributions to the field of computational chemistry. The committee praised his work in developing computational methods for guiding the discovery of functional molecular crystals, which has the potential to revolutionise the field of materials science.

Professor Gill Reid , President of the Royal Society of Chemistry, said: “As President of the RSC, I congratulate all of the 2023 RSC Prize Winners for their fantastic achievements. I am also really delighted that Graeme’s research in Southampton has been recognised in this way. He is an international leader in crystal structure prediction, and his work has enabled significant advances in identifying and realising a range of highly novel functional molecules and materials.”

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