Midlands Computational Chemistry Meeting 2017

The advent of modern technologies, the increasing capacity of computers and speed with which computational processes can be conducted, has led to a rise in importance of computational chemistry. The field has many advantages over conventional experimental chemistry, notably allowing every step of a chemical reaction to be probed for a deeper chemical understanding, and even allowing previously impossible reactions to be simulated.

On the 26th of July the Department of Chemistry hosted the first of what is hoped to be an annual discussion on computational chemistry, on topics ranging from graph theory to method development.

Midlands Computational Chemistry poster sessionThe Midlands Computational Chemistry Meeting was envisaged as an opportunity for young researchers in the field to present their work, through either oral or poster presentations.

The conference was well attended with roughly 40 attendees from a variety of universities around the country. The conference itself had thirteen speakers from the universities of Hull, Manchester, Nottingham Trent, Birmingham, Warwick, Sheffield and Sheffield Hallam.

The three speakers from the University of Sheffield were postgraduate researchers Joe Clarke, working with Prof. Patrick Fowler, FRS, who spoke about his work investigating ring-currents in antikekulene systems; Peter Gillespie, working with Dr Natalia Martsinovich, who presented about the photocatalytic properties of a graphene/TiO2 interface; and finally postdoctoral researcher Dr Theo Keane, working with Dr Anthony Meijer, who talked about his research on platinum complexes used in electron transfer.

Two prizes were given out, sponsored by the International Journal of Quantum Chemistry and the Journal of Computational Chemistry. Congratulations are extended to, former University of Sheffield undergraduate, now Durham University postgraduate researcher, Cate Anstoter for her poster titled “Chromophores of Chromophores” and Dr Bengt Tegner, from the University of Manchester for his poster titled “Water Adsorption on Actinide Oxide Surfaces”.

Cate Anstoter winning poster award at Midlands Computational Chemistry Bengt Tegner poster prize winner at the Midlands Compuational Chemistry Meeting

Conference organiser Dr Grant Hill said about the meeting “A major goal of this meeting was to give young researchers in the field a chance to present their work in front of a friendly audience. I think that we accomplished that and I was impressed by the level of the talks, it was hard to distinguish students from academics. It would be great if we can turn the meeting into an annual event, and I'm grateful to the RSC theoretical chemistry group for helping with sponsorship.”

Written By:
Joe Clarke

With thanks to Dr Grant Hill