Imperial College London

ProfessorMichaelBearpark

Faculty of Natural SciencesDepartment of Chemistry

Professor of Computational Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 5727m.bearpark

 
 
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Location

 

110AMolecular Sciences Research HubWhite City Campus

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Summary

 

Summary

Michael Bearpark is a Principal Research Fellow in the Chemistry Department at Imperial College London. His research interests are in computational chemistry, including method and software development with applications to modeling the excited electronic states of large molecules and their photochemical reaction dynamics. He has contributed to the development of the Gaussian computational chemistry codes and his experimental collaborators includes laser spectroscopists working on the coherent control of chemical reactions.

Publications

Journals

Tran T, Javier Segarra-Martí J, Bearpark M, et al., 2019, Molecular vertical excitation energies studied with first order RASSCF (RAS[1,1]): balancing covalent and ionic excited states, Journal of Physical Chemistry A, ISSN:1089-5639

Segarra-Martí J, Tran T, Bearpark MJ, 2019, Ultrafast and radiationless electronic excited state decay of uracil and thymine cations: computing the effects of dynamic electron correlation, Physical Chemistry Chemical Physics, ISSN:1463-9076

Polyak I, Bearpark MJ, Robb MA, 2018, Application of the unitary group approach (UGA) to evaluate spindensity for Configuration Interaction (CI) calculations in a basisof S$^{2}$ eigenfunctions, International Journal of Quantum Chemistry, Vol:118, ISSN:0020-7608

Polyak I, Jenkins A, Vacher M, et al., 2018, Charge migration engineered by localisation: electron-nuclear dynamics in polyenes and glycine, Molecular Physics, Vol:116, ISSN:0026-8976, Pages:2474-2489

Vacher M, Bearpark M, Robb MA, et al., 2017, Electron dynamics upon ionisation of polyatomic molecules: Coupling to quantum nuclear motion and decoherence, Physical Review Letters, Vol:118, ISSN:1079-7114

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