Summary
Michael Bearpark is Professor of Computational Chemistry and Director of Research Computing Engagement at Imperial College London. His research interests are in computational chemistry, molecular electronic excited states and photochemical reaction dynamics. He contributes to the development of the Gaussian computational chemistry code and his experimental collaborators includes laser spectroscopists working on the control of chemical reactions.
Publications
Journals
Danilov D, Jenkins AJ, Bearpark MJ, et al., 2023, Coherent mixing of singlet and triplet states in acrolein and ketene: a computational strategy for simulating the electron-nuclear dynamics of intersystem crossing., Journal of Physical Chemistry Letters, Vol:14, ISSN:1948-7185, Pages:6127-6134
Segarra-Marti J, Tran T, Bearpark MJ, 2022, 3-Methylation alters excited state decay in photoionised uracil, Physical Chemistry Chemical Physics, Vol:24, ISSN:1463-9076, Pages:27038-27046
Danilov D, Tran T, Bearpark MJJ, et al., 2022, How electronic superpositions drive nuclear motion following the creation of a localized hole in the glycine radical cation, Journal of Chemical Physics, Vol:156, ISSN:0021-9606
Cave-Ayland C, Bearpark M, Romain C, et al., 2022, CHAMP is a HPC Access and Metadata Portal, Journal of Open Source Software, Vol:7, Pages:3824-3824
Chan HHS, Fitzpatrick N, Segarra-Marti J, et al., 2021, Molecular excited state calculations with adaptive wavefunctions on a quantum eigensolver emulation: reducing circuit depth and separating spin states, Physical Chemistry Chemical Physics, Vol:23, ISSN:1463-9076, Pages:26438-26450