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
M.M.M. Madkhali, C.D. Rankine and T.J.Penfold. Enhancing the Analysis of Disorder in X-ray Absorption Spectra: Application of Deep Neural Networks to T-jump-X-ray Probe Experiments Phys. Chem. Chem. Phys. 2021 DOI: 10/1039/D0CP06244H.
C.D. Rankine and T.J. Penfold Progress in the Theory of X-ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics. J Phys. Chem. A. DOI:10.1021/acs.jpca0c11267 (2021)
P. Rajamalli, F. Rizzi, W. Li, M. Jinks, A. Gupta, B.A. Laidlaw, I. Samuel, T.J. Penfold, S. Goldup and E. Zysman-Colman Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter ChemRxiv
L. Yang, J. Horton, M.C. Payne, T.J. Penfold, D. Cole Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field. ChemRxiv
Full list can be found under publications.
C.D. Rankine and T.J. Penfold Progress in the Theory of X-ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics. J Phys. Chem. A. DOI:10.1021/acs.jpca0c11267 (2021)
P. Rajamalli, F. Rizzi, W. Li, M. Jinks, A. Gupta, B.A. Laidlaw, I. Samuel, T.J. Penfold, S. Goldup and E. Zysman-Colman Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter ChemRxiv
L. Yang, J. Horton, M.C. Payne, T.J. Penfold, D. Cole Modelling Molecular Emitters in Organic Light Emitting Diodes with the Quantum Mechanical Bespoke Force Field. ChemRxiv
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.
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