We are a computational research group at the University of Sheffield, working on wave packet methods and electronic structure calculations, specializing in astrochemistry, electron transfer, and fuel chemistry
Current News
5 Oct 2019: New project students have started this week. Welcome to Anna, Katy, and Yvette, who will all be working in our group this year.
Recent Publications
- Hydrogen tunneling avoided: enol-formation from a charge-tagged phenyl pyruvic acid derivative evidenced by tandem-MS, IR ion spectroscopy and theory, Mathias Paul, Katrin Peckelsen, Thomas Thomulka, Jörg Neudörfl, Jonathan Martens, Giel Berden, Jos Oomens, Albrecht Berkessel, Anthony J. H. M. Meijer, and Mathias Schäfer, Phys. Chem. Chem. Phys., 2019, 21, 16591-16600.
- Heteronuclear d-d and d-f Ru(ii)/M complexes [M = Gd(iii), Yb(iii), Nd(iii), Zn(ii) or Mn(ii)] of ligands combining phenanthroline and aminocarboxylate binding sites: combined relaxivity, cell imaging and photophysical studies, Bethany J. Crowston, James D. Shipp, Dimitri Chekulaev, Luke K. McKenzie, Callum Jones, Julia A. Weinstein, Anthony J. H. M. Meijer, Helen E. Bryant, Louise Natrajan, Adam Woodward, and Michael D. Ward, Dalton Trans., 2019, 48, 6132-6152
Open Positions
Currently no open PDRA positions. If you are interested in doing a PhD in our group, please contact us.