We are a computational and theoretical chemistry research group based at the School of Natural and Environmental Sciences at Newcastle University. Our research interests are focused upon developing methods for and understanding excited state properties, nonadiabatic ultrafast dynamics and time-resolved spectroscopy.
In this site you can find out what’s going on in our laboratory, including our current research. |
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Recent Publications
E. Falbo and T.J. Penfold Redox Potentials of Polyoxometalates from Implicit Solvent Model and QM/MM Molecular Dynamics J. Phys. Chem. C DOI: 10.1021/acs.jpcc.0c04169 (2020).
M.M.M. Madkhali, C.D. Rankine and T.J.Penfold The Role of Structural Representation in the Performance of a Deep Neural Network for X-ray Spectroscopy. Molecules 25:2715 (2020).
F. Liedy, J. Eng, R. McNab, R. Inglis, T.J. Penfold, E.K. Brechin and J.O. Johansson. Vibrational coherences in manganese singe-molecule magnets after ultrafast photoexcitation. Nature Chemistry DOI: 10.1038/s41557-020-0431-6 (2020).
Full list can be found under publications.
M.M.M. Madkhali, C.D. Rankine and T.J.Penfold The Role of Structural Representation in the Performance of a Deep Neural Network for X-ray Spectroscopy. Molecules 25:2715 (2020).
F. Liedy, J. Eng, R. McNab, R. Inglis, T.J. Penfold, E.K. Brechin and J.O. Johansson. Vibrational coherences in manganese singe-molecule magnets after ultrafast photoexcitation. Nature Chemistry DOI: 10.1038/s41557-020-0431-6 (2020).
Full list can be found under publications.
Open Positions
There is always the possibility to join our group using a wide variety of funding schemes. For more information see Contact and Vacancies.
Upcoming Events