Imperial College London


Faculty of Natural SciencesDepartment of Chemistry

Professor of Computational Chemistry



+44 (0)20 7594 5727m.bearpark




110AMolecular Sciences Research HubWhite City Campus





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.



Polyak I, Bearpark MJ, Robb MA, 2018, Application of the unitary group approach to evaluate spin density for configuration interaction calculations in a basis of S-2 eigenfunctions, International Journal of Quantum Chemistry, Vol:118, ISSN:0020-7608

Polyak I, Jenkins AJ, 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 MJ, Robb MA, et al., 2017, Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence, Physical Review Letters, Vol:118, ISSN:0031-9007

Spinlove KE, Vacher M, Bearpark M, et al., 2017, Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules, Chemical Physics, Vol:482, ISSN:0301-0104, Pages:52-63

Vacher M, Bearpark MJ, Robb MA, 2016, Direct methods for non-adiabatic dynamics: connecting the single-set variational multi-configuration Gaussian (vMCG) and Ehrenfest perspectives, Theoretical Chemistry Accounts, Vol:135, ISSN:1432-881X

More Publications