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Research interests

Theoretical and Computational Chemistry The interaction of light and matter gives rise to many fascinating phenomena. Some of these are very poorly understood at present but are exceedingly important in a wide variety of fields across chemistry, physics, biochemistry, new materials, and medicine. Our research is based on theoretical and computational investigations of electronically excited states, including both spectroscopy and photochemistry, from high accuracy studies of small molecules, to supramolecular sensors, and photoactive molecules of biological importance. Such research is vital to understand these processes at the molecular level. 

Research Group Contact Details


Fingerprint Dive into the research topics where Martin J. Paterson is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 6 Similar Profiles
Excited states Chemical Compounds
configuration interaction Physics & Astronomy
Anions Chemical Compounds
excitation Physics & Astronomy
Photons Medicine & Life Sciences
Photochemical reactions Chemical Compounds
Transition metals Chemical Compounds
Molecules Chemical Compounds

Co Author Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 2002 2020

  • 105 Article
  • 6 Chapter (peer-reviewed)
  • 1 Comment/debate
  • 1 Literature review

The influence of substituent position on the excited state dynamics operating in 4-, 5- and 6-hydroxyindole

Crane, S. W., Ghafur, O., Saalbach, L., Paterson, M. J. & Townsend, D., Jan 2020, In : Chemical Physics Letters. 738, 136870.

Research output: Contribution to journalArticle

Quantum chemistry
Molecular beams
Vapor pressure
Excited states

A systematic construction of configuration interaction wavefunctions in the complete CI space

Prentice, A. W., Coe, J. P. & Paterson, M. J., 28 Oct 2019, In : The Journal of Chemical Physics. 151, 16, 14 p., 164112.

Research output: Contribution to journalArticle

Open Access
Wave functions
configuration interaction
central processing units
Potential energy surfaces

One- and Two-Photon Induced Photochemistry of Fe(CO)5: Insights from Coupled Cluster Response Theory

Malcomson, T., McKinlay, R. G. & Paterson, M. J., Sep 2019, In : ChemPhotoChem. 3, 9, p. 825-832 8 p.

Research output: Contribution to journalArticle

Stress Tensor Eigenvector Following with Next-Generation Quantum Theory of Atoms in Molecules: Excited State Photochemical Reaction Path from Benzene to Benzvalene

Malcomson, T., Azizi, A., Momen, R., Xu, T., Kirk, S. R., Paterson, M. J. & Jenkins, S., 26 Sep 2019, In : Journal of Physical Chemistry A. 123, 38, p. 8254-8264 11 p.

Research output: Contribution to journalArticle

Photochemical reactions
Quantum theory
stress tensors
Excited states

Targeted photoredox catalysis in cancer cells

Huang, H., Banerjee, S., Qiu, K., Zhang, P., Blacque, O., Malcomson, T., Paterson, M. J., Clarkson, G. J., Staniforth, M., Stavros, V. G., Gasser, G., Chao, H. & Sadler, P. J., 23 Sep 2019, In : Nature Chemistry. 11, p. 1041-1048 8 p.

Research output: Contribution to journalArticle

Photodynamic therapy