Mats Simmermacher
Affiliations: | 2021-2024 | School of Chemistry | University of Edinburgh, Edinburgh, Scotland, United Kingdom |
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Parents
Sign in to add mentor| Stephan P. A. Sauer | grad student | 2013-2015 | Copenhagen University |
| Niels E. Henriksen | grad student | 2015-2018 | Technical University of Denmark |
| Klaus B. Møller | grad student | 2015-2018 | Technical University of Denmark |
| Adam Kirrander | post-doc | 2021-2024 | Edinburgh |
Collaborators
Sign in to add collaborator| Elke Fasshauer | collaborator | 2017- | University of Tübingen, Germany |
| Peter M. Weber | collaborator | 2018- | Brown |
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Publications
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| Hutton L, Moreno Carrascosa A, Prentice AW, et al. (2024) Using a multistate mapping approach to surface hopping to predict the ultrafast electron diffraction signal of gas-phase cyclobutanone. The Journal of Chemical Physics. 160 |
| Huang L, Bertram L, Ma L, et al. (2024) The Ring-Closing Reaction of Cyclopentadiene Probed with Ultrafast X-ray Scattering. The Journal of Physical Chemistry. A |
| Ziems KM, Simmermacher M, Gräfe S, et al. (2023) The contribution of Compton ionization to ultrafast x-ray scattering. The Journal of Chemical Physics. 159 |
| Coe JP, Moreno Carrascosa A, Simmermacher M, et al. (2022) Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction. Journal of Chemical Theory and Computation. 18: 6690-6699 |
| Moreno Carrascosa A, Coe JP, Simmermacher M, et al. (2022) Towards high-resolution X-ray scattering as a probe of electron correlation. Physical Chemistry Chemical Physics : Pccp. 24: 24542-24552 |
| Allum F, Amini K, Ashfold M, et al. (2021) Time-resolved diffraction: general discussion. Faraday Discussions |
| Yong H, Zotev N, Ruddock JM, et al. (2020) Observation of the molecular response to light upon photoexcitation. Nature Communications. 11: 2157 |
| Schnack-Petersen AK, Simmermacher M, Fasshauer E, et al. (2020) The Second-Order-Polarization-Propagator-Approximation (SOPPA) in a four-component spinor basis. The Journal of Chemical Physics. 152: 134113 |
| Zotev N, Moreno Carrascosa A, Simmermacher M, et al. (2020) Excited Electronic States in Total Isotropic Scattering from Molecules. Journal of Chemical Theory and Computation |
| Simmermacher M, Kirrander A, Henriksen NE. (2020) Time-resolved x-ray scattering from impulsively aligned or oriented molecules Physical Review A. 102 |