About me

I am a Laura-Bassi stipend postdoctoral researcher in the group of Caroline Lasser. Before joining TUM I completed my PhD jointly under the supervision of Nils Huse at the University of Hamburg and Oriol Vendrell at Heidelberg University.

I hold two independent MSc degrees, in Mathematics and Chemistry, which provide a strong foundation for my interdisciplinary research at the intersection of mathematics, chemistry and physics. I am particularly interested in developing computational methods that bridge these fields with applications in quantum dynamics and spectroscopy.

During my PhD I focused on time-resolved X-ray spectroscopy developing approaches to accurately simulate ultrafast processes in molecules. In my postdoctoral work at TUM, I aim to make Gaussian wavepacket dynamics simulations more efficient while maintaining high accuracy. My goal is to advance computational techniques for simulating quantum molecular dynamics enabling the study of larger systems and longer time scales.

Publications and preprints

1. T. Dederichs, A. Banerjee, V. Kabanova, R. Stefanuik, A. Freibert, E. V. Beale, F. Dworkowski, R. G. Castillo, P. J. M. Johnson, C. Cirelli, N. Huse, C. Bacellar, R. M. Jay, P. Wernet, Time-resolved Resonant Inelastic X-ray Scattering reveals how Orbital Symmetry Alignment Enables C–H Activation, (2025) submitted, DOI: 10.26434/chemrxiv-2025-mfldj
2. D. Garratt, S. K. Das, K. J. Nelson, J. Harich, A. Freibert, C. Bacellar, C. Cirelli, P. J. M. Johnson, R. G. Castillo, M. R. Zoric, R.-P. Wang, H. Lim, A. A. Cordones, N. Huse, M. Odelius and K. Gaffney, Influence of substitution pattern on the dynamics of internal conversion and intersystem crossing in thiopyridone isomers, Phys. Chem. Chem. Phys. 27 (2025), 16371
3. L. Cigrang, B. F. E. Curchod, R. A. Ingle, A. Kelly, J. R. Mannouch, D. Accomasso, A. Alijah, M. Barbatti, W. Chebbi, N. Doslic, E. C. Eklund, S. Fernandez-Alberti, A. Freibert, L. Gonzalez, G. Granucci, F. J. Hernandez, J. Hernandez-Rodriguez, A. Jain, J. Janos, I. Kassal, A. Kirrander, Z. Lan, H. R. Larsson, D. Lauvergnat, B. Le De, Y. Lee, N. T. Maitra, S. K. Min, D. Pelaez, D. Picconi, Z. Qiu, U. Raucci, P. Robertson, E. Sangiogo Gil, M. Sapunar, P. Schürger, P. Sinnott, S. Tretiak, A. Tikku, P. Vindel-Zandbergen, G. A. Worth, F. Agostini, S. Gomez, L. M. Ibele, and A. Prlj, Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics, J. Phys. Chem. A 129 (2025), 7023-7050
4. J. Harich, R. Ma, M. Ochmann, A. Freibert, Y. Kim, M. Kim, E. Kim, M. Gopannagari, J. Lee, T. G. Woo, H. Oh, R.-P. Wang, J. H. Lee, T. K. Kim and N. Huse, Size-dependent Ultrafast UV Photochemistry of Aliphatic Disulfides in Solution, Chem. Eur. J. 31 (2025), e202404695
5. M. Ochmann, J. Harich, R. Ma, A. Freibert, Y. Kim, M. Gopannagari, D. H. Hong, D. Nam, S. Kim, M. Kim, I. Eom, J. H. Lee, B. A. Yorkee, T. K. Kim and N. Huse, UV photochemistry of the L-cystine disulfide bridge in aqueous solution investigated by femtosecond X-ray absorption spectroscopy, Nat Commun 15 (2024), 8838
6. L. Cruz-Rodriguez, D. Dey, A. Freibert and P. Stammer, Quantum phenomena in attosecond science, Nat Rev Phys 6 (2024), 691–704
7. A. Freibert, D. Mendive-Tapia, O. Vendrell and N. Huse, A Fully Dynamical Description of Time-Resolved Resonant Inelastic X-ray Scattering of Pyrazine, Phys. Chem. Chem. Phys. 26 (2024), 22572
8. O. Bennett, A. Freibert, K. E. Spinlove and G. A. Worth, Prediction Through Quantum Dynamics Simulations: Photo-excited Cyclobutanone, J. Chem. Phys. 160 (2024), 174305
9. A. Freibert, D. Mendive-Tapia, N. Huse and O. Vendrell, Time-Dependent Resonant Inelastic X-ray Scattering of Pyrazine at the Nitrogen K-Edge: A Quantum Dynamics Approach, J. Chem. Theory Comput., 20(5) (2024), 2167-2180
10. A. Freibert, D. Mendive-Tapia, N. Huse and O. Vendrell, Femtosecond X-ray Absorption Spectroscopy of Pyrazine at the Nitrogen K-edge: On the Validity of the Lorentzian Limit, J. Phys. B: At. Mol. Opt. Phys. 54 (2021), 244003
11. G. Christopoulou, A. Freibert and G. A. Worth, Improved algorithm for the direct dynamics variational multi-configurational Gaussian method, J. Chem. Phys. 154 (2021), 124127
12. A. Freibert, J. M. Dieterich and B. Hartke, Exploring self-organization of molecular tether molecules on a gold surface by global structure optimization, J. Comput. Chem. 40 (2019), 1978 – 1989