Imperial College London

ProfessorMichaelBearpark

Faculty of Natural SciencesDepartment of Chemistry

Professor of Computational Chemistry
 
 
 
//

Contact

 

+44 (0)20 7594 5727m.bearpark

 
 
//

Location

 

265ChemistrySouth Kensington Campus

//

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

Robb MA, Polyak I, Bearpark MJ, 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, ISSN:0020-7608

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

Vigor WA, Spencer JS, Bearpark MJ, et al., 2016, Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo, Journal of Chemical Physics, Vol:144, ISSN:0021-9606

More Publications