The 16th Femtochemistry Conference (FEMTO16)

Session

Session 14 - Structural Dynamics III

14

Jun 26, 2025, 4:10 PM

Savoia Hotel, Trieste, Italy

65. The combined electronic and nuclear structure molecular movie for a conical intersection

Markus Guhr (DESY)

6/26/25, 4:10 PM

Invited talk

Many molecular light-energy conversion processes in nature occur on an ultrafast (sub-picosecond) timescale, such as retinal light harvesting, optical switching of green and yellow fluorescent proteins, and nucleobase photoprotection. The conversion process often occurs at conical intersections, which are regions in molecular phase space characterized by degenerate potential energy surfaces...

246. Chemical dynamics of microsolvated (bio)molecules

Prof. Jochen Küpper (Deutsches Elektronen-Synchrotron DESY)

6/26/25, 4:40 PM

Contributed talk

Observing molecules in action through the recording of “molecular movies”, i.e., their spatiotemporal evolution during chemical dynamics, with atomic spatial and temporal resolution promises to revolutionize our understanding of the molecular sciences and to provide a time-dependent basis of chemistry. However, most real-world chemistry occurs at or near room temperature, yet the ultrafast...

208. Unveiling the wavelength dependent ultrafast relaxation of solvated thymidine with extreme ultraviolet time-resolved photoelectron spectroscopy and simulations

Dr Mario Taddei (University of Bologna)

6/26/25, 5:00 PM

Contributed talk

The nucleobases photo-protection mechanism is at the heart of our genetic code stability: the electronic states produced by UV light absorption are rapidly converted to heat by internal conversion and safely dissipated to the environment before reactive pathways can occur. The precise understanding of photo-deactivation in these molecules and the involvement of potentially harmful trapping...

207. Solvation Shells and Simulation Cells: Advances in modeling X-ray Solution Scattering for Time-Resolved Studies

Asmus Ougaard Dohn (DTU Physics)

6/26/25, 5:20 PM

Contributed talk

The role of the solvent in ultrafast processes has become a focus of interest for many researchers within femtochemistry and beyond. To interpret emerging time-resolved x-ray scattering experiments, we therefore need forward models that accurately predict scattering across the full range of momentum transfer, q. This talk will present new methods to correct finite simulation cell errors in...

97. Electron transfer-induced misfolding of prion proteins studied by ultrafast X-ray absorption

Wojciech Gawelda (Universidad Autonoma de Madrid / IMDEA Nanoscience)

6/26/25, 5:40 PM

Contributed talk

The cellular prion protein (PrPC) is a membrane-bound glycoprotein found in the central nervous system of all mammal species and has emerged as an important copper binding protein. It is well established that the redox behaviour of copper bound to PrPC, plays an important role in both the physiological function of the protein, and in the pathogenesis of neurodegenerative diseases known as...