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Workshop / Seminar

Department of Chemistry Departmental Seminar

About the event

Departmental Seminar, Monday, 10/25/21 at 4:10 in Fulmer 201

Speaker:         Dr. Anna Krylov
Professor of Chemistry
University of Southern California

Host:              Professor Aurora Clark

Title:          New and old challenges in spectroscopy modeling

Abstract:  Spectroscopy is a powerful tool for interrogating the matter, but decoding the message delivered by the spectra is far from trivial. How do we convert the spectra into what the nuclei and electrons are doing? The theoretical modeling provides a way to do so. This lecture will discuss new and old challenges faced by the theory in the context of modeling electronic structure in strong fields, high-energy,  and non-linear regimes and highlight recent progress in many-body methodology in treating spectroscopic signatures of core-level states.

1. S. Gozem and A. I. Krylov, The ezSpectra suite: An easy-to-use toolkit for spectroscopy modeling  WIRES Comp. Mol. Sci., e1546 (2021)
2. L. Kjellsson, K. Nanda, J.-E. Rubensson, G. Doumy, S. H. Southworth, P. J. Ho, A. M. March, A. Al Haddad, Y. Kumagai, M.-F. Tu, T. Debnath, M. S. Bin Mohd Yusof, C. Arnold, W. F. Schlotter, S. Moeller, G. Coslovich, J. D. Koralek, M. P. Minitti, M. L. Vidal, M. Simon, R. Santra, Z.-H. Loh, S. Coriani, A. I. Krylov, and L. Young, Resonant inelastic x-ray scattering reveals hidden local transitions of the aqueous OH radical, Phys. Rev. Lett.  124, 236001 (2020)
3. Z.-H. Loh, G. Doumy, C. Arnold, L. Kjellsson, S. H. Southworth, A. Al Haddad, Y. Kumagai, M.-F. Tu, P. J. Ho, A. M. March, R. D. Schaller, M. S. Bin Mohd Yusof, T. Debnath, M. Simon, R. Welsch, L. Inhester, K. Khalili, K. Nanda, A. I. Krylov, S. Moeller, G. Coslovich, J. Koralek, M. P. Minitti, W. F. Schlotter, J.-E. Rubensson, R. Santra, and L. Young, Observation of the fastest chemical processes in the radiolysis of water, Science  367, 179 – 182 (2020)